Molecule ID: mol30290

SMILES: CCOC(=O)C1C(=O)N(c2ccccc2)N=C1C

InChI: InChI=1S/C13H14N2O3/c1-3-18-13(17)11-9(2)14-15(12(11)16)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.66 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization