Molecule ID: mol26636

SMILES: Cc1ccc2c(O)c3ccccc3nc2n1

InChI: InChI=1S/C13H10N2O/c1-8-6-7-10-12(16)9-4-2-3-5-11(9)15-13(10)14-8/h2-7H,1H3,(H,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.76 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization