Molecule ID: mol1359

SMILES: CCCCCNc1ncccn1

InChI: InChI=1S/C9H15N3/c1-2-3-4-6-10-9-11-7-5-8-12-9/h5,7-8H,2-4,6H2,1H3,(H,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.03 IUPAC digitized pKa 1 » 0
4.03 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization