Molecule ID: mol32855

SMILES: CC(C)(C)c1cc(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O

InChI: InChI=1S/C17H16Cl2N2O4/c1-17(2,3)12-7-9(18)6-11(15(12)22)16(23)20-14-5-4-10(21(24)25)8-13(14)19/h4-8,22H,1-3H3,(H,20,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization