Molecule ID: mol7487

SMILES: COc1cc(C)nc(C)n1

InChI: InChI=1S/C7H10N2O/c1-5-4-7(10-3)9-6(2)8-5/h4H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization