Molecule ID: mol1777

SMILES: CCN1C[C@@H](C)C[C@@H](O)[C@@H]1[C@H](C)c1ccc2c(c1C)C[C@@H]1[C@H]2CC=C2C[C@H](O)CC[C@@]21C

InChI: InChI=1S/C29H43NO2/c1-6-30-16-17(2)13-27(32)28(30)19(4)22-9-10-23-24-8-7-20-14-21(31)11-12-29(20,5)26(24)15-25(23)18(22)3/h7,9-10,17,19,21,24,26-28,31-32H,6,8,11-16H2,1-5H3/t17-,19+,21+,24-,26+,27+,28-,29-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
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Charge States and Microspecies Visualization