Molecule ID: mol4750

SMILES: CCN1CCNc2c(C)nc(Cl)nc21

InChI: InChI=1S/C9H13ClN4/c1-3-14-5-4-11-7-6(2)12-9(10)13-8(7)14/h11H,3-5H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization