Molecule ID: mol4637

SMILES: COc1ccc2cncnc2c1

InChI: InChI=1S/C9H8N2O/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.81 QSARToolbox 1 » 0
2.81 IUPAC digitized pKa 1 » 0
2.87 QSARToolbox 1 » 0
2.89 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization