Molecule ID: mol35434

SMILES: CCCN(CCC)C(=O)CNc1c(C(=O)OCC)cnc2ccc(Cl)cc12

InChI: InChI=1S/C20H26ClN3O3/c1-4-9-24(10-5-2)18(25)13-23-19-15-11-14(21)7-8-17(15)22-12-16(19)20(26)27-6-3/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,22,23)

Experimental Macro pKa Values

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