Molecule ID: mol27568

SMILES: O=C1CN(C(Cc2ccccc2)C(=O)O)C(=O)N1

InChI: InChI=1S/C12H12N2O4/c15-10-7-14(12(18)13-10)9(11(16)17)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17)(H,13,15,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.91 AttenGpKa training set 0 » -1
2.91 QSARToolbox 0 » -1
9.21 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization