Molecule ID: mol35435

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

InChI: InChI=1S/C18H22ClN3O3/c1-3-7-22(8-4-2)16(23)11-21-17-13-9-12(19)5-6-15(13)20-10-14(17)18(24)25/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.00 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization