Basic information
- Standard SMILES
ClC1=Nc2cccnc2Nc2ccccc21- InChIKey
XPQKEEVIHMXOHT-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3
- Average molar mass
- 229.66 g/mol
Names & identifiers
- Preferred name
- 6-chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
- IUPAC
- 6-chloro-11H-pyrido[2,3-b][1,4]benzodiazepine
Names & synonyms
6-chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepineSCHEMBL2507304SCHEMBL23494996XPQKEEVIHMXOHT-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136163771
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
4 records
Compound notes
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