Molecule ID: mol6987

SMILES: C=CCNc1nc(C)cc(C)n1

InChI: InChI=1S/C9H13N3/c1-4-5-10-9-11-7(2)6-8(3)12-9/h4,6H,1,5H2,2-3H3,(H,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization