Molecule ID: mol17812

SMILES: N#Cc1ccc(O)c(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c1

InChI: InChI=1S/C15H8N2O4S/c16-7-8-1-3-11(18)10(5-8)12-4-2-9(21-12)6-13-14(19)17-15(20)22-13/h1-6,18H,(H,17,19,20)/b13-6-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization