Molecule ID: mol6992

SMILES: C=CCc1c(C)nc(=N)n(C)c1C

InChI: InChI=1S/C10H15N3/c1-5-6-9-7(2)12-10(11)13(4)8(9)3/h5,11H,1,6H2,2-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization