Molecule ID: mol1757

SMILES: Cc1ccc(Cl)cc1N

InChI: InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization