Molecule ID: 7543

IUPAC Name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline

Description: The molecule is a chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. It has a role as a metabolite.

SMILES: Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl

SELFIES: [N][C][=C][C][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring1][#C][Cl]

InChI: InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2

Molecular Properties:
- Polar Surface Area: 52.0 Ų
- LogP: 3.8