Molecule ID: mol32049

SMILES: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/N=C(\N)S)CC[C@]12O

InChI: InChI=1S/C21H35N3O2S/c1-19-8-6-15(25)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)26)12-23-24-18(22)27/h12-17,25-26H,3-11H2,1-2H3,(H3,22,24,27)/b23-12+/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1

Experimental Macro pKa Values

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