Basic information
- Standard SMILES
O=C1CC2CCCN2c2nc(Cl)ncc2N1- InChIKey
ZHXSLFUQXGYFSW-UHFFFAOYSA-N- Molecular formula
- C10H11ClN4O
- Average molar mass
- 238.67 g/mol
- Monoisotopic mass
- 238.0621387
Names & identifiers
- Preferred name
- 13-Chloro-2,9,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-one
- IUPAC
- 13-chloro-2,9,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-one
Names & synonyms
SCHEMBL19105526
Database identifiers
- PubChem CID
- 91048704
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Related reactions
1 records
Compound notes
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