Molecule ID: mol20093

SMILES: CCN(CC)CCS/C(=N\O)c1nc(-c2cccc3ccccc23)no1

InChI: InChI=1S/C19H22N4O2S/c1-3-23(4-2)12-13-26-19(21-24)18-20-17(22-25-18)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,24H,3-4,12-13H2,1-2H3/b21-19-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization