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What Is Ion
What Is Ion? An ion is a molecule that has a net electrical charge. Since the charge of the electron (considered negative by convention) is equal and opposite to that of the proton (considered positive by convention), the net charge of an ion is non-zero due to its total number of electrons being un...
2020-05-29, 840🔥, 0💬

Molecule FYI-1001006
Molecule Summary: ID: FYI-1001006 SMILES: C\\C=C(\\C)/C(=O)O[C@@H]1CCN2C C=C(COC(=O)[C@@](O)([C@H](C)O) C(C)(C)O)[C@H]12Received at FYIcenter.com on: 2021-09-30
2022-04-02, 838🔥, 0💬

Molecule FYI-1000380
Molecule Summary: ID: FYI-1000380 SMILES: Cc1n[nH]c(C)c1c2cn(C)c3c(C(=O) O)cccc23.ClReceived at FYIcenter.com on: 2021-04-22
2021-06-20, 838🔥, 0💬

Molecule FYI-1000294
Molecule Summary: ID: FYI-1000294 SMILES: Oc1cccc2ccccc12 Received at FYIcenter.com on: 2021-03-19
2022-05-31, 837🔥, 0💬

Molecule FYI-1000386
Molecule Summary: ID: FYI-1000386 SMILES: CCOC(=O)C2CC[NH+](Cc1ccccc1)CC 2=OReceived at FYIcenter.com on: 2021-04-30
2021-10-10, 837🔥, 0💬

Molecule FYI-1000338
Molecule Summary: ID: FYI-1000338 SMILES: C1=NC2=C(N1)C(=S)N=C(N2)N Received at FYIcenter.com on: 2021-04-06
2022-07-26, 836🔥, 0💬

Molecule FYI-1000977
Molecule Summary: ID: FYI-1000977 SMILES: S=C1S/C(=C/c2ccc(cc2)C(C)C)C(= O)N1CCN(C)CReceived at FYIcenter.com on: 2021-08-20
2021-12-28, 836🔥, 0💬

Molecule FYI-1000269
Molecule Summary: ID: FYI-1000269 SMILES: N[17C@@](F)([18C])C(=[1912O])[ 20O]Received at FYIcenter.com on: 2021-02-24
2021-04-04, 833🔥, 0💬

"obenergy" - Calculate Molecule Energy
What Is "obenergy" command? How to use it to Calculate Molecule Energy? "obenergy" command is a command line tool provided in the Open Babel package that allows you to Calculate Molecule Energy. Here is the user manual of the "obenergy" command. NAME obenergy -- calculate the energy for a molecule S...
2020-11-11, 833🔥, 0💬

Molecule FYI-1000268
Molecule Summary: ID: FYI-1000268 SMILES: N[17C@@](F)([18C])C(=[19O])[20 O]Received at FYIcenter.com on: 2021-02-24
2021-04-04, 832🔥, 0💬

Molecule FYI-1000266
Molecule Summary: ID: FYI-1000266 SMILES: N[17C@@](F)([18C])C(=O)O Received at FYIcenter.com on: 2021-02-24
2021-04-04, 832🔥, 0💬

"babel -H fpt" - Fingerprint Help Information
How to get help information on Open Babel Fingerprints? You can use the "babel -H fpt" command to get help information on Open Babel Fingerprints: fyicenter$ babel -H fpt fpt Fingerprint format Generate or display molecular fingerprints. This format constructs and displays fingerprints and (for mult...
2020-11-22, 832🔥, 0💬

Molecule FYI-1002035
Molecule Summary: ID: FYI-1002035 Names: InChIKey: JZRWCGZRTZMZEH-UHFFFAOYSA-N SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C )CCOReceived at FYIcenter.com on: 2023-01-20
2023-01-20, 829🔥, 0💬

Molecule FYI-1000306
Molecule Summary: ID: FYI-1000306 SMILES: COCCNC(=O)C(=O)N/N=C/c1cccc(c1 OC)OCReceived at FYIcenter.com on: 2021-04-05
2022-07-06, 829🔥, 1💬

Molecule FYI-1000216
Molecule Summary: ID: FYI-1000216 SMILES: C1[C@@H]2CC[C@@H]3[C@]([C@H]1O )(C2)CC[C@H]1[C@@]3(C)CCC[C@@] 1(C)C(=O)OReceived at FYIcenter.com on: 2021-01-05
2021-08-01, 829🔥, 0💬

Open Babel Documentation and Resources
Where can I find Open Babel documentations and resources? Here is a list of links to Open Babel documentations and resources. Open Babel Command Manuals and Tutorials - http://openbabel.org/wiki/Cate gory:GuidesOpen Babel v2.3.1 Documentation - "Open Babel, or how I learned to love the chemistry fil...
2021-01-09, 829🔥, 0💬

Molecule FYI-1000211
Molecule Summary: ID: FYI-1000211 SMILES: COC1=C(Cl)C=C(Cl)C(NC2=C(C=NC3 =CC(OCCCN4CCN(C)CC4)=C(OC)C=C2 3)C#N)=C1Received at FYIcenter.com on: 2020-12-22
2021-08-01, 828🔥, 0💬

Molecule FYI-1002047
Molecule Summary: ID: FYI-1002047 Names: ACETOSALIC ACID; BAYER; ASPIRIN; InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N SMILES: CC(=O)OC1=CC=CC=C1C(=O)O Received at FYIcenter.com on: 2023-01-24
2023-01-24, 827🔥, 0💬

Molecule FYI-1000304
Molecule Summary: ID: FYI-1000304 SMILES: O=C\\C2=C(/C)C[C@@H](O[C@@H]1O [C@@H]([C@@H](O)[C@H](O)[C@H]1 O)CO)CC2(C)CReceived at FYIcenter.com on: 2021-04-05
2022-07-01, 827🔥, 0💬

Molecule FYI-1000460
Molecule Summary: ID: FYI-1000460 SMILES: CN(C)CCC1=CNC2=C1C(=CC=C2)OP(= O)(O)OReceived at FYIcenter.com on: 2021-07-12
2021-10-02, 826🔥, 0💬

Molecule FYI-1002884
Molecule Summary: ID: FYI-1002884 Names: InChIKey: NFUHGIUBDKRZQY-UHFFFAOYSA-N SMILES: COC(=O)CCCNC(=O)c1cc(S(N)(=O)= O)c(Cl)cc1S(=O)(=O)Cc2ccccc2Received at FYIcenter.com on: 2023-04-25
2023-05-09, 825🔥, 0💬

Molecule FYI-1002474
Molecule Summary: ID: FYI-1002474 Names: InChIKey: BRXSUDPDZCGKBW-UHFFFAOYSA-N SMILES: O=C(c1ccccc1)C8C3OC(c2cc4c(cc2 3)C6OC4C(C(=O)c5ccccc5)C6C(=O) c7ccccc7)C8C(=O)c9ccccc9Received at FYIcenter.com on: 2023-04-03
2023-04-26, 825🔥, 0💬

What Is Molecule Structure
What Is Molecule Structure? Molecule Structure is a graphical model of a molecule on how its atoms are bonded together, with information about atom types/sizes/locations and bound types. Molecule Structures are 3-dimensional structures which can be visualized in different models. Two examples are li...
2020-04-16, 825🔥, 0💬

Molecule FYI-1003897
Molecule Summary: ID: FYI-1003897 Names: InChIKey: YMCYSGYEUBUSSC-FXBPSFAMSA-N SMILES: CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N 1CCN(C)C(/C=C(C#N)\\C(N)=O)C1) CC2)c(OC)c3)nc4NC5CCOCC5Received at FYIcenter.com on: 2023-08-04
2023-08-09, 824🔥, 0💬

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