Molecule ID: mol17207

SMILES: c1cc([C@H]2CC[C@@]3(CC2)C[C@@]2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1

InChI: InChI=1S/C29H41NO4/c1-3-27(32-14-11-30-9-12-31-13-10-30)4-2-23(1)24-5-7-28(8-6-24)20-29(34-33-28)25-16-21-15-22(18-25)19-26(29)17-21/h1-4,21-22,24-26H,5-20H2/t21?,22?,24-,25?,26?,28+,29-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.82 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization