Molecule ID: mol32807

SMILES: CC(CCCNCc1ccccc1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C

InChI: InChI=1S/C31H49NO2/c1-21(8-7-17-32-20-22-9-5-4-6-10-22)26-13-14-27-25-12-11-23-18-24(33)15-16-30(23,2)28(25)19-29(34)31(26,27)3/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
9.07 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization