Molecule ID: 13916

IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole

Description: The molecule is a member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively. It has a role as a bacterial metabolite and an antifungal drug. It is a member of pyrroles, a member of monochlorobenzenes, a C-nitro compound and an indole alkaloid.

SMILES: O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl

SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][=C][NH1][C][=C][Ring1][Branch1][Cl]

InChI: InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H

Molecular Properties:
- Polar Surface Area: 61.6 Ų
- LogP: 4.4