Molecule ID: mol38021

SMILES: CN1C(N)=CC=NC1S

InChI: InChI=1S/C5H9N3S/c1-8-4(6)2-3-7-5(8)9/h2-3,5,9H,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization