Molecule ID: 16854

IUPAC Name: (3,4-dichlorophenyl)urea

Description: The molecule is a member of the class of ureas that is urea substituted by a 3,4-dichlorophenyl group at position 1. It is a metabolite of the herbicide diuron. It has a role as a marine xenobiotic metabolite. It is a dichlorobenzene and a member of phenylureas.

SMILES: N=C(O)Nc1ccc(Cl)c(Cl)c1

SELFIES: [N][=C][Branch1][C][O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]

InChI: InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)

Molecular Properties:
- Polar Surface Area: 55.1 Ų
- LogP: 2.6