Molecule ID: mol38075

SMILES: CC(C)(Cc1c[nH]c2ccccc12)NCC(O)CON=C(C1CC1)C1CC1

InChI: InChI=1S/C22H31N3O2/c1-22(2,11-17-12-23-20-6-4-3-5-19(17)20)24-13-18(26)14-27-25-21(15-7-8-15)16-9-10-16/h3-6,12,15-16,18,23-24,26H,7-11,13-14H2,1-2H3

Experimental Macro pKa Values

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