Molecule ID: mol32708

SMILES: CC(CCCNCc1ccccc1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

InChI: InChI=1S/C31H49NO2/c1-21(8-7-17-32-20-22-9-5-4-6-10-22)25-11-12-26-29-27(14-16-31(25,26)3)30(2)15-13-24(33)18-23(30)19-28(29)34/h4-6,9-10,21,23-29,32-34H,7-8,11-20H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.06 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization