Molecule ID: mol1023

SMILES: CN(C)c1c(Cl)cc([N+](=O)[O-])cc1Cl

InChI: InChI=1S/C8H8Cl2N2O2/c1-11(2)8-6(9)3-5(12(13)14)4-7(8)10/h3-4H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.23 Hunt 1 » 0
-0.23 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization