Molecule ID: mol8115

SMILES: CCCCNc1ncc2nccnc2n1

InChI: InChI=1S/C10H13N5/c1-2-3-4-13-10-14-7-8-9(15-10)12-6-5-11-8/h5-7H,2-4H2,1H3,(H,12,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization