Molecule ID: mol5303
SMILES: Nc1cccc([As](=O)(O)O)c1
InChI: InChI=1S/C6H8AsNO3/c8-6-3-1-2-5(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 | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 8.32 | OCHEM | -1 » -2 |
| 8.62 | QSARToolbox | -1 » -2 |
| 8.92 | IUPAC digitized pKa | -1 » -2 |