Molecule ID: mol26660

SMILES: Cc1cc2c(O)c3ccccc3nc2nc1C

InChI: InChI=1S/C14H12N2O/c1-8-7-11-13(17)10-5-3-4-6-12(10)16-14(11)15-9(8)2/h3-7H,1-2H3,(H,15,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.63 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization