Molecule ID: mol37065

SMILES: COc1cc(OC)c(OC)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1

InChI: InChI=1S/C24H30N2O4/c1-28-20-13-21(23(30-3)22(14-20)29-2)24(27)25-17-11-18-9-10-19(12-17)26(18)15-16-7-5-4-6-8-16/h4-8,13-14,17-19H,9-12,15H2,1-3H3,(H,25,27)/t17-,18-,19+

Experimental Macro pKa Values

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