Molecule ID: mol38059

SMILES: COc1ccc2[nH]c3c(c2c1)CCNc1cc(Cl)ccc1-3

InChI: InChI=1S/C17H15ClN2O/c1-21-11-3-5-15-14(9-11)12-6-7-19-16-8-10(18)2-4-13(16)17(12)20-15/h2-5,8-9,19-20H,6-7H2,1H3

Experimental Macro pKa Values

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