Molecule ID: mol9249
SMILES: CCCC[As](=O)(O)O
InChI: InChI=1S/C4H11AsO3/c1-2-3-4-5(6,7)8/h2-4H2,1H3,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.01 | Datawarrior | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.53 | OCHEM | 0 » -1 |
| 4.76 | IUPAC digitized pKa | 0 » -1 |
| 8.60 | OCHEM | -1 » -2 |
| 8.88 | QSARToolbox | -1 » -2 |
| 8.91 | QSARToolbox | -1 » -2 |
| 8.91 | QSARToolbox | -1 » -2 |