Molecule ID: mol5304
SMILES: Nc1ccc([As](=O)(O)O)cc1
InChI: InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | IUPAC digitized pKa | 1 » 0 |
| 4.36 | IUPAC digitized pKa | 1 » 0 |
| 4.36 | QSARToolbox | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |
| 4.40 | OCHEM | 1 » 0 |
| 8.60 | OCHEM | -1 » -2 |
| 8.62 | IUPAC digitized pKa | -1 » -2 |