Molecule ID: mol15278

SMILES: O=C1CSc2ncnc(N3CCOCC3)c2N1

InChI: InChI=1S/C10H12N4O2S/c15-7-5-17-10-8(13-7)9(11-6-12-10)14-1-3-16-4-2-14/h6H,1-5H2,(H,13,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.07 OCHEM 1 » 0
2.07 QSARToolbox 1 » 0
2.07 Datawarrior 1 » 0
10.37 Datawarrior 0 » -1
10.37 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization