Molecule ID: mol26425

SMILES: COc1cccc2c1ncn2C

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization