Molecule ID: mol7354

SMILES: CCCc1c(C)nc(=N)n(C)c1C

InChI: InChI=1S/C10H17N3/c1-5-6-9-7(2)12-10(11)13(4)8(9)3/h11H,5-6H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization