Molecule ID: mol27345

SMILES: Cc1ccc(C2(c3ccc(C)cc3)C(=O)NC(=O)C2C#N)cc1

InChI: InChI=1S/C19H16N2O2/c1-12-3-7-14(8-4-12)19(15-9-5-13(2)6-10-15)16(11-20)17(22)21-18(19)23/h3-10,16H,1-2H3,(H,21,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization