Ingredients

M-benzoic acid

C17H13NO8S2

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: M-benzoic acid
Molecular Formula: C17H13NO8S2
Molecular Weight: No data
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O
Isomeric SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O
InChI: InChI=1S/C17H13NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26)
Oral Bioavailability: No data
Drug Likeness: 0.465
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data