Molecule ID: mol6477

SMILES: CCN(CC)Cc1ccncc1

InChI: InChI=1S/C10H16N2/c1-3-12(4-2)9-10-5-7-11-8-6-10/h5-8H,3-4,9H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.96 Baltruschat ChEMBL 1 » 0
8.18 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization