Molecule ID: mol35088

SMILES: CSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N

InChI: InChI=1S/C13H20N4O2S2/c1-9(12(4-5-18)21-20-3)17(8-19)7-11-6-15-10(2)16-13(11)14/h6,8,18H,4-5,7H2,1-3H3,(H2,14,15,16)/b12-9-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.59 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization