Molecule ID: mol26423

SMILES: COc1nc2ccccc2n1C

InChI: InChI=1S/C9H10N2O/c1-11-8-6-4-3-5-7(8)10-9(11)12-2/h3-6H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization