Molecule ID: mol35994

SMILES: O=C(O)C1Cc2c([nH]c3ccccc23)CN1

InChI: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.60 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization