Molecule ID: mol424

SMILES: COc1ccc2nc(-c3ccccc3)cc(N)c2c1

InChI: InChI=1S/C16H14N2O/c1-19-12-7-8-15-13(9-12)14(17)10-16(18-15)11-5-3-2-4-6-11/h2-10H,1H3,(H2,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 OCHEM 1 » 0
8.70 AvLiLuMoVe 1 » 0
8.70 Settimo 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization