Molecule ID: mol2522

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

InChI: InChI=1S/C10H15N3/c1-5-6-9-7(2)12-10(11-4)13-8(9)3/h5H,1,6H2,2-4H3,(H,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization