Molecule ID: mol14384

SMILES: COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1OC

InChI: InChI=1S/C24H27N3O3/c1-29-22-11-17(14-25)10-21(23(22)30-2)24(28)26-18-12-19-8-9-20(13-18)27(19)15-16-6-4-3-5-7-16/h3-7,10-11,18-20H,8-9,12-13,15H2,1-2H3,(H,26,28)/t18-,19-,20+

Experimental Macro pKa Values

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