Molecule ID: mol12965

SMILES: NCc1ccc(Cl)c(N)c1

InChI: InChI=1S/C7H9ClN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,4,9-10H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.71 Datawarrior 2 » 1
9.33 OCHEM 1 » 0
9.33 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization