Molecule ID: 39562

IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid

Description: The molecule is a member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively. It has a role as an antispermatogenic agent and an antineoplastic agent. It is a member of indazoles, a dichlorobenzene and a monocarboxylic acid.

SMILES: O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12

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

InChI: InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)

Molecular Properties:
- Polar Surface Area: 55.1 Ų
- LogP: 4.3