Molecule ID: mol20101

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

InChI: InChI=1S/C13H24N4O2S/c1-6-17(7-2)8-9-20-11(15-18)10-14-12(16-19-10)13(3,4)5/h18H,6-9H2,1-5H3/b15-11-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization