Molecule ID: mol8806

SMILES: NNCc1ccccc1

InChI: InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.67 AttenGpKa training set 1 » 0
6.83 QSARToolbox 1 » 0
6.83 IUPAC digitized pKa 1 » 0
6.83 OCHEM 1 » 0
6.88 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization