Molecule ID: mol35989

SMILES: O=C(O)C1CCCN1Cc1cccc(CN2CCCC2C(=O)O)n1

InChI: InChI=1S/C17H23N3O4/c21-16(22)14-6-2-8-19(14)10-12-4-1-5-13(18-12)11-20-9-3-7-15(20)17(23)24/h1,4-5,14-15H,2-3,6-11H2,(H,21,22)(H,23,24)

Experimental Macro pKa Values

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