Basic information
- Standard SMILES
O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3ccccc3[N+](=O)[O-])c21- InChIKey
YIBYUJOLZABPHQ-UHFFFAOYSA-N- Molecular formula
- C22H12N2O4
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 368.07970687
Names & identifiers
- Preferred name
- 1H-Benzo[a]carbazole-1, 11-(2-nitrophenyl)-
- IUPAC
- 11-(2-nitrophenyl)benzo[a]carbazole-1,4-dione
Names & synonyms
NSC705524CHEMBL1970610NSC-705524NCI60_0376411H-Benzo[a]carbazole-1, 11-(2-nitrophenyl)-
Database identifiers
- PubChem CID
- 397482
- ChEMBL
CHEMBL1970610
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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