Molecule ID: mol12284

SMILES: CC(=O)N(c1c(C)cccc1C)N1CCN(C(=O)OCc2ccccc2)CC1

InChI: InChI=1S/C22H27N3O3/c1-17-8-7-9-18(2)21(17)25(19(3)26)24-14-12-23(13-15-24)22(27)28-16-20-10-5-4-6-11-20/h4-11H,12-16H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.50 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization