Molecule ID: mol7019

SMILES: Nc1nc(O)ncc1Cl

InChI: InChI=1S/C4H4ClN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization