Molecule ID: mol1468

SMILES: NCC(Cl)(Cl)C(Cl)(Cl)Cl

InChI: InChI=1S/C3H4Cl5N/c4-2(5,1-9)3(6,7)8/h1,9H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.58 QSARToolbox 1 » 0
6.58 IUPAC digitized pKa 1 » 0
6.58 OCHEM 1 » 0
6.58 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization