Molecule ID: mol36009

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

InChI: InChI=1S/C12H18N4O2S/c1-8(11(19)3-4-17)16(7-18)6-10-5-14-9(2)15-12(10)13/h5,7,17,19H,3-4,6H2,1-2H3,(H2,13,14,15)/b11-8-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization