Molecule ID: mol7450

SMILES: CCC1(c2ccccc2)C(=O)N(CCCN2CCOCC2)C(=O)N=C1O

InChI: InChI=1S/C19H25N3O4/c1-2-19(15-7-4-3-5-8-15)16(23)20-18(25)22(17(19)24)10-6-9-21-11-13-26-14-12-21/h3-5,7-8H,2,6,9-14H2,1H3,(H,20,23,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.73 IUPAC digitized pKa 1 » 0
8.17 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization