Molecule ID: mol36726

SMILES: O=C(O)c1ccccc1N=C1CCCN1

InChI: InChI=1S/C11H12N2O2/c14-11(15)8-4-1-2-5-9(8)13-10-6-3-7-12-10/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)

Experimental Macro pKa Values

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