Molecule ID: 54730538

IUPAC Name: (2E,4Z)-6-(4-amino-5-chloro-6-oxopyridazin-1-yl)-5-oxido-6-oxohexa-2,4-dienoate

Description: The molecule is a monocarboxylic acid anion arising from deprotonation of the carboxy and enol groups of 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one; major species at pH 7.3. It is a conjugate base of a 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one.

SMILES: Nc1cnn(C(=O)/C([O-])=C/C=C/C(=O)[O-])c(=O)c1Cl

SELFIES: [N][C][C][=N][N][Branch1][P][C][=Branch1][C][=O][/C][Branch1][C][O-1][=C][/C][=C][/C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][=Ring1][P][Cl]

InChI: InChI=1S/C10H8ClN3O5/c11-8-5(12)4-13-14(10(8)19)9(18)6(15)2-1-3-7(16)17/h1-4,15H,12H2,(H,16,17)/p-2/b3-1+,6-2-

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 1.2