Molecule ID: mol7917

SMILES: COc1ccc2cncnc2c1C

InChI: InChI=1S/C10H10N2O/c1-7-9(13-2)4-3-8-5-11-6-12-10(7)8/h3-6H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization