Molecule ID: 12573513

IUPAC Name: [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate

Description: The molecule is an organophosphate insecticide, a dialkyl phosphate and a dichlorobenzene. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical.

SMILES: COP(=O)(OC)O/C(=C/Cl)c1ccc(Cl)cc1Cl

SELFIES: [C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][/C][=Branch1][Ring1][=C][/Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]

InChI: InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/b10-6+

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 2.4