Molecule ID: mol34875

SMILES: COc1cccnc1C(N)=O

InChI: InChI=1S/C7H8N2O2/c1-11-5-3-2-4-9-6(5)7(8)10/h2-4H,1H3,(H2,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization