Molecule ID: mol35431

SMILES: CCCN(CCC)C(=O)CN(C)c1c(C(=O)O)cnc2ccc(OC)cc12

InChI: InChI=1S/C20H27N3O4/c1-5-9-23(10-6-2)18(24)13-22(3)19-15-11-14(27-4)7-8-17(15)21-12-16(19)20(25)26/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,25,26)

Experimental Macro pKa Values

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