Molecule ID: mol34962

SMILES: CC1COC2(c3ccccc3)c3cc(Cl)ccc3NC(=O)CN12

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

Experimental Macro pKa Values

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