Molecule ID: mol26480

SMILES: Cc1cc2nc(C(C)C)[nH]c2cc1C

InChI: InChI=1S/C12H16N2/c1-7(2)12-13-10-5-8(3)9(4)6-11(10)14-12/h5-7H,1-4H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization