Molecule ID: 10921109

IUPAC Name: 1,2,3-benzothiadiazole-7-carboxylic acid

Description: The molecule is a benzothiadiazole that is acibenzolar-S-methyl in which the thioester group has been hydrolysed to the corresponding carboxylic acid group. The active herbicide of the proherbicide acibenzolar-S-methyl. It has a role as an antifungal agrochemical, a plant activator and a fungicide. It is a benzothiadiazole and an aromatic carboxylic acid.

SMILES: O=C(O)c1cccc2nnsc12

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

InChI: InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)

Molecular Properties:
- Polar Surface Area: 91.3 Ų
- LogP: 1.4