Molecule ID: mol3020

SMILES: O=S(=O)(c1ccccc1)n1cc(-c2cccc3nccn23)c2ccccc21

InChI: InChI=1S/C21H15N3O2S/c25-27(26,16-7-2-1-3-8-16)24-15-18(17-9-4-5-10-20(17)24)19-11-6-12-21-22-13-14-23(19)21/h1-15H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.40 Novartis 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization