Molecule ID: mol25577

SMILES: Cn1nc(-c2ccccc2)c(O)c1-c1ccccc1

InChI: InChI=1S/C16H14N2O/c1-18-15(13-10-6-3-7-11-13)16(19)14(17-18)12-8-4-2-5-9-12/h2-11,19H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization