Molecule ID: mol7489

SMILES: COc1ncc(C)cn1

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.37 OCHEM 1 » 0
1.67 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization