Molecule ID: mol33117
SMILES: CCC(Cl)CC[As](=O)(O)O
InChI: InChI=1S/C5H12AsClO3/c1-2-5(7)3-4-6(8,9)10/h5H,2-4H2,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.71 | QSARToolbox | 0 » -1 |
| 3.71 | QSARToolbox | 0 » -1 |
| 4.01 | OCHEM | 0 » -1 |
| 8.50 | OCHEM | -1 » -2 |
| 8.77 | QSARToolbox | -1 » -2 |