Molecule ID: mol25183

SMILES: Cc1cc(Cl)cc(C)[n+]1O

InChI: InChI=1S/C7H9ClNO/c1-5-3-7(8)4-6(2)9(5)10/h3-4,10H,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization