Molecule ID: 15546

IUPAC Name: 5-amino-4-chloro-2-phenylpyridazin-3-one

Description: The molecule is a pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2. It has a role as an environmental contaminant, a xenobiotic and a herbicide. It is a pyridazinone, an organochlorine compound, a primary amino compound and a member of benzenes.

SMILES: Nc1cnn(-c2ccccc2)c(=O)c1Cl

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

InChI: InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

Molecular Properties:
- Polar Surface Area: 58.7 Ų
- LogP: 0.8