Molecule ID: 185831

IUPAC Name: (4-propan-2-ylphenyl)urea

Description: The molecule is a member of the class of phenylureas that is urea substituted by a p-cumenyl group at position 1. It is a metabolite of the herbicide isoproturon. It has a role as a marine xenobiotic metabolite.

SMILES: CC(C)c1ccc(NC(=N)O)cc1

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

InChI: InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)

Molecular Properties:
- Polar Surface Area: 55.1 Ų
- LogP: 2.3