Molecule ID: mol37228

SMILES: CCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

InChI: InChI=1S/C14H17ClN4/c1-2-3-4-11-12(13(16)19-14(17)18-11)9-5-7-10(15)8-6-9/h5-8H,2-4H2,1H3,(H4,16,17,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.39 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization