Molecule ID: mol17813

SMILES: O=C1NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3O)o2)S1

InChI: InChI=1S/C14H8ClNO4S/c15-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.90 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization