Molecule ID: mol7239

SMILES: CN=c1nc(C)c(C#N)c(C)n1C

InChI: InChI=1S/C9H12N4/c1-6-8(5-10)7(2)13(4)9(11-3)12-6/h1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization