Molecule ID: mol20746

SMILES: CNCCN(C)C(=O)Oc1ccc(OC)cc1

InChI: InChI=1S/C12H18N2O3/c1-13-8-9-14(2)12(15)17-11-6-4-10(16-3)5-7-11/h4-7,13H,8-9H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization