Molecule ID: mol30335

SMILES: CC1=NN(c2ccccc2)C(=O)C1C(=O)c1ccc(Cl)cc1Cl

InChI: InChI=1S/C17H12Cl2N2O2/c1-10-15(16(22)13-8-7-11(18)9-14(13)19)17(23)21(20-10)12-5-3-2-4-6-12/h2-9,15H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization