Molecule ID: mol7495

SMILES: COc1ncncc1-c1ccccc1

InChI: InChI=1S/C11H10N2O/c1-14-11-10(7-12-8-13-11)9-5-3-2-4-6-9/h2-8H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization