Molecule ID: mol22508

SMILES: CC(=O)N(c1cccc2ccccc12)C(C)C(=O)O

InChI: InChI=1S/C15H15NO3/c1-10(15(18)19)16(11(2)17)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3,(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization