Molecule ID: mol15012

SMILES: C[C@H](CCCN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI: InChI=1S/C24H43NO/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h16-22,26H,4-15,25H2,1-3H3/t16-,17-,18-,19+,20-,21+,22+,23+,24-/m1/s1

Experimental Macro pKa Values

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