Molecule ID: mol20749

SMILES: COc1ccc(OC(=O)N(C)CCN)cc1

InChI: InChI=1S/C11H16N2O3/c1-13(8-7-12)11(14)16-10-5-3-9(15-2)4-6-10/h3-6H,7-8,12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization