Molecule ID: 5377791

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

Description: The molecule is an organic phosphate, an organophosphate insecticide, an organochlorine insecticide, an organochlorine acaricide and a dichlorobenzene. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor and an agrochemical.

SMILES: CCOP(=O)(OCC)O/C(=C/Cl)c1ccc(Cl)cc1Cl

SELFIES: [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][/C][=Branch1][Ring1][=C][/Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]

InChI: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 3.1