Molecule ID: mol36641

SMILES: COC(=O)c1cnccc1N

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization