Molecule ID: mol24782

SMILES: C[N+](C)(O)c1cccc(Cl)c1

InChI: InChI=1S/C8H11ClNO/c1-10(2,11)8-5-3-4-7(9)6-8/h3-6,11H,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization