Molecule ID: mol5977

SMILES: Nc1ccc(Cl)cc1N

InChI: InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.75 OCHEM 1 » 0
3.83 IUPAC digitized pKa 1 » 0
4.30 Datawarrior 1 » 0
4.30 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization