Molecule ID: mol20769

SMILES: COc1ccc2c(c1)N(CCN(C)C)CCO2

InChI: InChI=1S/C13H20N2O2/c1-14(2)6-7-15-8-9-17-13-5-4-11(16-3)10-12(13)15/h4-5,10H,6-9H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization