Molecule ID: mol7474

SMILES: CC(C)CCNc1ncccn1

InChI: InChI=1S/C9H15N3/c1-8(2)4-7-12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization