Molecule ID: mol34774

SMILES: CC(CO)[N+]1=C(c2ccccc2)c2cc(Cl)ccc2NC(=O)C1

InChI: InChI=1S/C18H17ClN2O2/c1-12(11-22)21-10-17(23)20-16-8-7-14(19)9-15(16)18(21)13-5-3-2-4-6-13/h2-9,12,22H,10-11H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization