Molecule ID: mol14423

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

InChI: InChI=1S/C23H27N3O5/c1-30-21-13-19(26(28)29)12-20(22(21)31-2)23(27)24-16-10-17-8-9-18(11-16)25(17)14-15-6-4-3-5-7-15/h3-7,12-13,16-18H,8-11,14H2,1-2H3,(H,24,27)/t16-,17-,18+

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