Bond Type Codes in Ketcher File

Q

What are bond type codes supported by Ketcher file?

✍: FYIcenter.com

A

Ketcher file supports the following bond type codes:

Single bond -  
  "type": 1

Double bond -
  "type": 2

Triple Bond -
  "type": 3

Any bond -
  "type": 8

Aromatic bond -
  "type": 4

Single/double bond -
  "type": 5

Single/aromatic bond -
  "type": 6

Double/aromatic bond - 
  "type": 7,

Dative bond - 
  "type": 9

Hydrogen bond -
  "type": 10

Single up bond -
  "type": 1,
  "stereo": 1
  
Single down bond -
  "type": 1,
  "stereo": 6

Single up/down bond -
  "type": 1,
  "stereo": 4

Double cis/trans bond -
  "type": 2,
  "stereo": 3

You can see all bond types list on the Ketcher editor UI too:

⇒ Molecule with Substituted Functional Group

⇐ Molecule Structure with Directed Bonds

⇑ Ketcher File Format for Chemical Structures

⇑⇑ Ketcher - Chemical Structure Editor

2024-02-18, 173🔥, 0💬

Molecule FYI-1006827
Molecule Summary: ID: FYI-1006827 Names: InChIKey: YBAMVCBVJCQISP-UHFFFAOYSA-N SMILES: CCCCC(CCC)CCCC(CCCC)CCC(CCCC)C CCCReceived at FYIcenter.com on: 2024-01-20 2024-02-18, 258🔥, 0💬

Molecule FYI-1006822
Molecule Summary: ID: FYI-1006822 Names: InChIKey: QWSJSUSZCNDXDO-UHFFFAOYSA-N SMILES: CN(C)CCSCCNC(=O)c3cn(C(=O)c2cc cc(Oc1ccccc1)c2)cn3Received at FYIcenter.com on: 2024-01-18 2024-01-24, 255🔥, 0💬

Molecule FYI-1006828
Molecule Summary: ID: FYI-1006828 Names: InChIKey: VSTGHTKIVQJEHH-UHFFFAOYSA-N SMILES: CCCCC(CCCC)CCCC(CCCC)CCC(CCCC) CCCCReceived at FYIcenter.com on: 2024-01-20 2024-02-18, 254🔥, 0💬

Molecule FYI-1006818
Molecule Summary: ID: FYI-1006818 Names: InChIKey: NMCXQLJKYQXSFH-CVDCTZTESA-N SMILES: CO[C@@H](C)[C@H](CNC(=O)c2cccc (Oc1ccccc1)c2)C(=O)NCCSSCCN(C) CReceived at FYIcenter.com on: 2024-01-18 2024-01-24, 254🔥, 0💬

Molecule FYI-1006820
Molecule Summary: ID: FYI-1006820 Names: InChIKey: VGHHGNJAKRKRIM-UHFFFAOYSA-N SMILES: CN(C)CCSCCNC(=O)c3cn(C(=O)c2cc nc(Oc1ccccc1)c2)c4cccnc34Received at FYIcenter.com on: 2024-01-18 2024-01-24, 239🔥, 0💬

Molecule FYI-1006821
Molecule Summary: ID: FYI-1006821 Names: InChIKey: QAUWUDVAJDRMLA-UHFFFAOYSA-N SMILES: CN(C)CCSSCCNC(=O)c3cn(Cc2cccc( Oc1ccccc1)c2)nn3Received at FYIcenter.com on: 2024-01-18 2024-01-24, 238🔥, 0💬

One Molecule with Disconnected Parts
Can I specify a single molecule object with multiple disconnected parts in a Ketcher file? Yes, you can specify a single molecule object with multiple disconnected parts in a Ketcher file. Here is a simple example of Ketcher file with a single "molecule" object of a 4-carbon chain. But the bond betw... 2024-01-31, 202🔥, 0💬

Scaling Issue on Importing Ketcher File
Why is my reaction schema scaled badly when imported from the Ketcher editor UI? The Ketcher editor UI seems to have a code bug. When a reaction schema stored in a Ketcher file is imported from the editor user interface, atom locations and the reaction arrow may be scaled down or up when mapping to ... 2024-01-31, 180🔥, 0💬

Bond Type Codes in Ketcher File
What are bond type codes supported by Ketcher file? Ketcher file supports the following bond type codes: Single bond - "type": 1 Double bond - "type": 2 Triple Bond - "type": 3 Any bond - "type": 8 Aromatic bond - "type": 4 Single/double bond - "type": 5 Single/aromatic bond - "type": 6 Double/aroma... 2024-02-18, 174🔥, 0💬

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