Molecule ID: mol21685

SMILES: Cc1cccc(OCC(O)CNC(C)C)c1OCC(O)CNC(C)C

InChI: InChI=1S/C19H34N2O4/c1-13(2)20-9-16(22)11-24-18-8-6-7-15(5)19(18)25-12-17(23)10-21-14(3)4/h6-8,13-14,16-17,20-23H,9-12H2,1-5H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.23 OCHEM 2 » 1
9.23 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization