Molecule ID: mol1605

SMILES: C=CCc1c(C)nc(N)nc1C

InChI: InChI=1S/C9H13N3/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4H,1,5H2,2-3H3,(H2,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization