Molecule ID: mol26645

SMILES: c1ccc2c(c1)c1ccccc1c1[nH]cnc21

InChI: InChI=1S/C15H10N2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15/h1-9H,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization