Molecule ID: mol7491

SMILES: COc1ncncc1C

InChI: InChI=1S/C6H8N2O/c1-5-3-7-4-8-6(5)9-2/h3-4H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization