Molecule ID: mol5302
SMILES: Nc1ccccc1[As](=O)(O)O
InChI: InChI=1S/C6H8AsNO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | IUPAC digitized pKa | 0 » -1 |
| 4.10 | OCHEM | 1 » 0 |
| 4.10 | OCHEM | 1 » 0 |
| 8.35 | OCHEM | -1 » -2 |
| 8.66 | QSARToolbox | -1 » -2 |
| 8.66 | IUPAC digitized pKa | -1 » -2 |