Molecule ID: mol20091

SMILES: CCN(CC)CCS/C(=N\O)c1nc(-c2ccccc2)no1

InChI: InChI=1S/C15H20N4O2S/c1-3-19(4-2)10-11-22-15(17-20)14-16-13(18-21-14)12-8-6-5-7-9-12/h5-9,20H,3-4,10-11H2,1-2H3/b17-15-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization