Atom Biology General Molecule Reaction Tools Trial Virus

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Reaction FYI-1005060
Reaction Summary: ID: FYI-1005060 Formula: SMILES: Cl.[Na]O>>[Na]Cl.O Received at FYIcenter.com on: 2023-10-12 2023-10-12, 1831🔥, 0💬

Constitutional Isomer Example
What are examples of Constitutional Isomers? The picture below gives an example of Constitutional Isomers: Constitutional or Structure Isomers The molecule on the left is N-Butane, also known as Normal Butane, which is a flammable, colorless, mostly nontoxic gas with a natural gas odor. The molecule... 2020-08-03, 1822🔥, 1💬

Molecule FYI-1000186
Molecule Summary: ID: FYI-1000186 SMILES: CCC/C=C/C=O Received at FYIcenter.com on: 2020-11-09 2020-12-02, 1755🔥, 0💬

chem.nlm.nih.gov ChemIDplus Database
What is chem.nlm.nih.gov ChemIDplus Database? chem.nlm.nih.gov ChemIDplus Database contains over 108,000 molecules. ChemIDplus is created from more than 100 sources. The core sources of substance records correspond to those substances that are cited in one or more of the National Library of Medicine... 2020-04-17, 1752🔥, 0💬

Molecule FYI-1000971
Molecule Summary: ID: FYI-1000971 SMILES: O=C1CSC(=S)N1CCCN1CCCCCC1 Received at FYIcenter.com on: 2021-08-20 2021-11-30, 1749🔥, 0💬

Molecule FYI-1000996
Molecule Summary: ID: FYI-1000996 SMILES: c1(OCC)ccc(CC(N)CNCCN)cc1ClCl Received at FYIcenter.com on: 2021-09-15 2021-12-28, 1745🔥, 0💬

Molecule FYI-1001808
Molecule Summary: ID: FYI-1001808 SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])O )[2H])[2H]Received at FYIcenter.com on: 2022-12-13 2023-01-06, 1724🔥, 0💬

Molecule FYI-1005666
Molecule Summary: ID: FYI-1005666 Names: InChIKey: URBKETJPLVPCMB-UHFFFAOYSA-N SMILES: O=Cc5cccc(c3nnc4n(Cc1ccccc1Cl) c(=O)c2ccccc2n34)c5Received at FYIcenter.com on: 2023-11-09 2023-11-23, 1719🔥, 0💬

Molecule FYI-1003976
Molecule Summary: ID: FYI-1003976 Names: InChIKey: SOBPKJYDSKIMNI-UHFFFAOYSA-N SMILES: O=N(=O)c4ccc(CSc3nnc(c2ccc1ncc cc1c2)o3)cc4Received at FYIcenter.com on: 2023-08-08 2023-09-05, 1717🔥, 0💬

Molecule FYI-1000184
Molecule Summary: ID: FYI-1000184 SMILES: CC(C)CC1=NC=CN=C1OC Received at FYIcenter.com on: 2020-11-09 2020-12-02, 1715🔥, 0💬

Molecule FYI-1003053
Molecule Summary: ID: FYI-1003053 Names: InChIKey: GOTQYQJBHFXCPO-UHFFFAOYSA-N SMILES: N#Cc3cc(c2ccc(c1cc(F)c(O)c(F)c 1)cn2)ccc3OReceived at FYIcenter.com on: 2023-05-10 2023-05-31, 1708🔥, 0💬

Custom Wedge/Hash with SVG output
How to create a molecule structure with custom wedge/hash bonds? I don't like the default presentation of wedge/hash bonds. As shown in the previous tutorial, Open Babel has its own algorithm to detect stereo centers and decide which bond to presented as a wedge or hash bond. The resulting wedge/has... 2021-12-02, 1708🔥, 0💬

Molecule FYI-1003459
Molecule Summary: ID: FYI-1003459 Names: InChIKey: AZFQCTBZOPUVOW-UHFFFAOYSA-N SMILES: C[P+](c1ccccc1)(c2ccccc2)c3ccc cc3Received at FYIcenter.com on: 2023-06-20 2023-07-08, 1705🔥, 0💬

Molecule FYI-1000953
Molecule Summary: ID: FYI-1000953 SMILES: C(\\\\N=N/C1=NCCN1)C1=CC=CC(=C 1)C1=CN2C=C(\\\\C=N\\\\NC3=NCC N3)C=CC2=N1Received at FYIcenter.com on: 2021-07-28 2021-11-01, 1699🔥, 1💬

Molecule FYI-1001813
Molecule Summary: ID: FYI-1001813 SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O) C(C(C(=CC(C(=O)CC(OC(=O)C3CCCC N3C(=O)C(=O)C1(O2)O)C(C)CC4CCC (C(C4)OC)OC(=O)C(C)(CO)CO)C)C) O)OC)C)C)C)OCReceived at FYIcenter.com on: 2022-12-13 2023-01-06, 1698🔥, 0💬

Molecule FYI-1000279
Molecule Summary: ID: FYI-1000279 SMILES: C[C@H](CCl)F Received at FYIcenter.com on: 2021-03-03 2021-04-17, 1696🔥, 0💬

Molecule FYI-1000179
Molecule Summary: ID: FYI-1000179 SMILES: CNC[C@H](O)C1=CC(O)=C(O)C=C1 Received at FYIcenter.com on: 2020-10-16 2020-11-11, 1688🔥, 0💬

"obabel ... -o svg" Command - Generate SVG from SMILES
How to generate a molecule SVG picture from a SMILES string? The easiest way to generate a molecule SVG picture from a SMILES string is to use the the "babel ... -o svg" command. For example, the following command generate a SVG picture of the tyrosine molecule from a SMILES string: fyicenter$ obabe... 2021-07-19, 1683🔥, 0💬

Molecule FYI-1000969
Molecule Summary: ID: FYI-1000969 SMILES: O=C1CSC(=S)N1CCN1CCCCC1 Received at FYIcenter.com on: 2021-08-20 2021-11-30, 1682🔥, 0💬

Molecule FYI-1000176
Molecule Summary: ID: FYI-1000176 SMILES: COCC(=O)Cc1ccc(CC#N)cc1 Received at FYIcenter.com on: 2020-10-14 2020-10-26, 1681🔥, 0💬

Molecule FYI-1005776
Molecule Summary: ID: FYI-1005776 Names: InChIKey: COOGVHJHSCBOQT-MRVPVSSYSA-N SMILES: CC(C)c2cc(N1CC[C@@H](N)C1)nc(N )n2Received at FYIcenter.com on: 2023-11-14 2023-11-18, 1675🔥, 0💬

Show InChI and InChIKey on JSME
How to display the InChI string and InChIKey of the molecule in JSME editor? JSME does not offer any API methods to export the InChI string and InChIKey of the molecule in the editor. But you can display them on the editor UI. 1. Follow the previous tutorial to install JSME on your Web server. 2. Ru... 2020-05-18, 1667🔥, 0💬

Molecule FYI-1000939
Molecule Summary: ID: FYI-1000939 SMILES: N#CN1CCC(C(=O)Nc2ncc(-c3ccccc3 )s2)C1Received at FYIcenter.com on: 2021-07-20 2021-08-13, 1657🔥, 0💬

Molecule FYI-1000173
Molecule Summary: ID: FYI-1000173 SMILES: CC(C)N(C)C(=O)c2ccc(C#CCCc1ccc (Cl)cc1)cc2Received at FYIcenter.com on: 2020-10-12 2020-10-20, 1657🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus