Molecule ID: mol6991

SMILES: C=CCn1c(C)cc(C)nc1=N

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization