Molecule ID: mol2280

SMILES: CCOC(=O)N1CCC2(CC1)N=C(N)c1sccc1N2

InChI: InChI=1S/C13H18N4O2S/c1-2-19-12(18)17-6-4-13(5-7-17)15-9-3-8-20-10(9)11(14)16-13/h3,8,15H,2,4-7H2,1H3,(H2,14,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization