Molecule ID: mol20867

SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C

InChI: InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
15.00 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization