Molecule ID: mol30666

SMILES: N=C(Nc1ccccc1)c1ccccc1O

InChI: InChI=1S/C13H12N2O/c14-13(11-8-4-5-9-12(11)16)15-10-6-2-1-3-7-10/h1-9,16H,(H2,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization