Molecule ID: mol36538

SMILES: CNC(=S)N/N=C/c1c(CO)cnc(C)c1O

InChI: InChI=1S/C10H14N4O2S/c1-6-9(16)8(7(5-15)3-12-6)4-13-14-10(17)11-2/h3-4,15-16H,5H2,1-2H3,(H2,11,14,17)/b13-4+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.67 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization