Molecule ID: mol3442

SMILES: N=C(N)Nc1ccc(Cl)cc1

InChI: InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.50 IUPAC digitized pKa 1 » 0
10.60 IUPAC digitized pKa 1 » 0
10.90 OCHEM 1 » 0
10.90 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization