Molecule ID: mol25907

SMILES: Cc1ccccc1-c1nnn(C)n1

InChI: InChI=1S/C9H10N4/c1-7-5-3-4-6-8(7)9-10-12-13(2)11-9/h3-6H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.18 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization