Molecule ID: mol11693

SMILES: CC1(c2ccccc2)C(=O)NC(=O)C1C#N

InChI: InChI=1S/C12H10N2O2/c1-12(8-5-3-2-4-6-8)9(7-13)10(15)14-11(12)16/h2-6,9H,1H3,(H,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization