Molecule ID: mol18675

SMILES: CN(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O

InChI: InChI=1S/C21H19N3O2S/c1-24(27(2,25)26)16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14H,1-2H3,(H,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.95 Baltruschat ChEMBL 1 » 0
6.95 Baltruschat ChEMBL 1 » 0
6.95 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization