Molecule ID: mol4621

SMILES: CC1=Nc2ccccc2CN1

InChI: InChI=1S/C9H10N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-5H,6H2,1H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.14 IUPAC digitized pKa 1 » 0
10.16 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization