Molecule ID: mol3407

SMILES: N=C(N)c1ccccc1

InChI: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.30 OCHEM 1 » 0
11.30 OCHEM 1 » 0
11.41 QSARToolbox 1 » 0
11.60 IUPAC digitized pKa 1 » 0
11.60 AttenGpKa training set 1 » 0
11.60 QSARToolbox 1 » 0
11.80 Datawarrior 1 » 0
11.80 OCHEM 1 » 0
11.80 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization