Molecule ID: mol25563

SMILES: Oc1c(-c2ccccc2)n[nH]c1-c1ccccc1

InChI: InChI=1S/C15H12N2O/c18-15-13(11-7-3-1-4-8-11)16-17-14(15)12-9-5-2-6-10-12/h1-10,18H,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization