Molecule ID: 16760140

IUPAC Name: 2-(4-chlorophenyl)-3-ethyl-5-oxopyridazine-4-carboxylate

Description: The molecule is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of clofencet. It is a conjugate base of a clofencet.

SMILES: CCc1c(C(=O)[O-])c(=O)cnn1-c1ccc(Cl)cc1

SELFIES: [C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][=N][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C13H11ClN2O3/c1-2-10-12(13(18)19)11(17)7-15-16(10)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19)/p-1

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 3.4