Molecule ID: mol12208

SMILES: N#CC1C(=O)NC(=O)C1(Cc1ccccc1)c1ccccc1

InChI: InChI=1S/C18H14N2O2/c19-12-15-16(21)20-17(22)18(15,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2,(H,20,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization