Molecule ID: mol36015

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

InChI: InChI=1S/C12H16N4O2S/c1-3-4-13-12(19)16-15-6-10-9(7-17)5-14-8(2)11(10)18/h3,5-6,17-18H,1,4,7H2,2H3,(H2,13,16,19)/b15-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization