Molecule ID: mol7219

SMILES: OCCN(CCO)c1ccnc(Cl)n1

InChI: InChI=1S/C8H12ClN3O2/c9-8-10-2-1-7(11-8)12(3-5-13)4-6-14/h1-2,13-14H,3-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization