Molecule ID: mol36624

SMILES: COC(=O)[C@H]1[C@@H](OC(=O)c2cccc(C)c2)C[C@@H]2CC[C@H]1N2C

InChI: InChI=1S/C18H23NO4/c1-11-5-4-6-12(9-11)17(20)23-15-10-13-7-8-14(19(13)2)16(15)18(21)22-3/h4-6,9,13-16H,7-8,10H2,1-3H3/t13-,14+,15-,16+/m0/s1

Experimental Macro pKa Values

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