Basic information
- Standard SMILES
O=c1cccc(-c2ccccc2)nn1- InChIKey
SIQCDUHQFIPESF-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
Names & identifiers
- Preferred name
- 7-Phenyl-1,2-diazapin-3-one
- IUPAC
- 7-phenyldiazepin-3-one
Names & synonyms
7-phenyl-1,2-diazapin-3-oneSIQCDUHQFIPESF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 85645974
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
Related reactions
8 records
Compound notes
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