Molecule ID: mol7800

SMILES: Cc1n[nH]c2c1CCCCC2

InChI: InChI=1S/C9H14N2/c1-7-8-5-3-2-4-6-9(8)11-10-7/h2-6H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization