Molecule ID: mol37818

SMILES: CCSc1cc(OC)c(OC)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1

InChI: InChI=1S/C25H32N2O3S/c1-4-31-21-14-22(24(30-3)23(15-21)29-2)25(28)26-18-12-19-10-11-20(13-18)27(19)16-17-8-6-5-7-9-17/h5-9,14-15,18-20H,4,10-13,16H2,1-3H3,(H,26,28)/t18-,19-,20+

Experimental Macro pKa Values

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