Molecule ID: mol36758

SMILES: O=C(NC(O)C(Cl)(Cl)Cl)C(Cl)Cl

InChI: InChI=1S/C4H4Cl5NO2/c5-1(6)2(11)10-3(12)4(7,8)9/h1,3,12H,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.26 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization