CID 3302602
Basic information
- CAS
958951-31-0- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)C1C2CCC=CCCC21- InChIKey
PTVHKBNXYKHEEV-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- CID 3302602
- IUPAC
- N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
Names & synonyms
ZINC04464011Oprea1_773987ZINC03861813
Database identifiers
- CAS
958951-31-0- PubChem CID
- 3302602
- DTXSID
DTXSID301320024
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 427
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Related reactions
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Compound notes
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