Molecule ID: mol12040

SMILES: O=C(NCC(=O)C1(C(=O)O)CCCCN1)c1ccccc1

InChI: InChI=1S/C15H18N2O4/c18-12(15(14(20)21)8-4-5-9-17-15)10-16-13(19)11-6-2-1-3-7-11/h1-3,6-7,17H,4-5,8-10H2,(H,16,19)(H,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.50 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization