Molecule ID: mol17206

SMILES: c1cc(C2CCC3(CC2)CCC2(OO3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1

InChI: InChI=1S/C30H43NO4/c1-3-28(33-16-13-31-11-14-32-15-12-31)4-2-24(1)25-5-7-29(8-6-25)9-10-30(35-34-29)26-18-22-17-23(20-26)21-27(30)19-22/h1-4,22-23,25-27H,5-21H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization