Molecule ID: mol37588

SMILES: COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C(=O)O)c2c1

InChI: InChI=1S/C19H22N2O4/c1-25-12-2-3-16-14(9-12)13(4-6-20-16)18(22)17-8-11-5-7-21(17)10-15(11)19(23)24/h2-4,6,9,11,15,17-18,22H,5,7-8,10H2,1H3,(H,23,24)/t11-,15-,17-,18+/m0/s1

Experimental Macro pKa Values

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