Molecule ID: mol33118

SMILES: CCCC(Cl)CC[As](=O)(O)O

InChI: InChI=1S/C6H14AsClO3/c1-2-3-6(8)4-5-7(9,10)11/h6H,2-5H2,1H3,(H2,9,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.51 QSARToolbox 0 » -1
3.51 QSARToolbox 0 » -1
3.80 OCHEM 0 » -1
8.00 OCHEM -1 » -2
8.31 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization