Molecule ID: mol21011

SMILES: COC(=O)N(C)COc1ccc(NC(C)=O)cc1

InChI: InChI=1S/C12H16N2O4/c1-9(15)13-10-4-6-11(7-5-10)18-8-14(2)12(16)17-3/h4-7H,8H2,1-3H3,(H,13,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization