Molecule ID: mol17617

SMILES: COC1CCN(C(=O)c2ccc3cc(OC4CCN(C(C)C)CC4)ccc3c2)CC1

InChI: InChI=1S/C25H34N2O3/c1-18(2)26-12-10-23(11-13-26)30-24-7-6-19-16-21(5-4-20(19)17-24)25(28)27-14-8-22(29-3)9-15-27/h4-7,16-18,22-23H,8-15H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization