Molecule ID: mol20095

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

InChI: InChI=1S/C10H18N4O2S/c1-4-14(5-2)6-7-17-10(12-15)9-11-8(3)13-16-9/h15H,4-7H2,1-3H3/b12-10-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization