Molecule ID: 270954

IUPAC Name: 1-(4-chloro-2-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea

Description: The molecule is a phenylureathat is urea substituted by 4-chloro-2-hydroxyphenyl and 3,4-dichlorophenyl groups at positions 1 and 3 respectively. A metabolite of triclocarban. It is a dichlorobenzene, a member of monochlorobenzenes and a member of phenylureas.

SMILES: OC(=Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1O

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

InChI: InChI=1S/C13H9Cl3N2O2/c14-7-1-4-11(12(19)5-7)18-13(20)17-8-2-3-9(15)10(16)6-8/h1-6,19H,(H2,17,18,20)

Molecular Properties:
- Polar Surface Area: 61.4 Ų
- LogP: 5.0