Basic information
- Standard SMILES
COc1ccc2[nH]c(/C=C/c3ccc([N+](=O)[O-])cc3Cl)cc2c1- InChIKey
HJTMFECLIFYIGM-DUXPYHPUSA-N- Molecular formula
- C17H13ClN2O3
- Average molar mass
- 328.7 g/mol
- Monoisotopic mass
- 328.06147
Names & identifiers
- Preferred name
- 2-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]-5-methoxy-1H-indole
- IUPAC
- 2-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]-5-methoxy-1H-indole
Names & synonyms
SCHEMBL5828579HJTMFECLIFYIGM-DUXPYHPUSA-N2-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]-5-methoxy-1H-indole
Database identifiers
- PubChem CID
- 21980802
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
1 records
Compound notes
Loading…