Molecule ID: mol21690

SMILES: CC(C)NCC(O)COc1cc2ccccc2cc1OCC(O)CNC(C)C

InChI: InChI=1S/C22H34N2O4/c1-15(2)23-11-19(25)13-27-21-9-17-7-5-6-8-18(17)10-22(21)28-14-20(26)12-24-16(3)4/h5-10,15-16,19-20,23-26H,11-14H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization