Molecule ID: 54711003

IUPAC Name: (2E,4Z)-6-(4-amino-5-chloro-6-oxopyridazin-1-yl)-5-hydroxy-6-oxohexa-2,4-dienoic acid

Description: The molecule is an organochlorine compound and a pyridazinone. It derives from a muconic acid. It is a conjugate acid of a 5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2-).

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][=C][/C][=C][/C][=Branch1][C][=O][O][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)/b3-1+,6-2-

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -0.1