Molecule ID: mol15476

SMILES: CN/C=N/c1cccc(-c2csc(N=C(N)N)n2)c1

InChI: InChI=1S/C12H14N6S/c1-15-7-16-9-4-2-3-8(5-9)10-6-19-12(17-10)18-11(13)14/h2-7H,1H3,(H,15,16)(H4,13,14,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.29 QSARToolbox 2 » 1
6.29 Datawarrior 2 » 1
8.29 Datawarrior 1 » 0
8.29 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization