Molecule ID: mol30326

SMILES: CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccc(Cl)cc1

InChI: InChI=1S/C17H13ClN2O2/c1-11-15(16(21)12-7-9-13(18)10-8-12)17(22)20(19-11)14-5-3-2-4-6-14/h2-10,15H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization