Molecule ID: mol13596

SMILES: Cc1cc(C)nc(N)c1

InChI: InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization