Molecule ID: mol28976
SMILES: COc1cc(N)ccc1P(=O)(O)O
InChI: InChI=1S/C7H10NO4P/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.22 | OCHEM | -1 » -2 |
| 8.22 | AttenGpKa training set | -1 » -2 |
| 8.22 | QSARToolbox | -1 » -2 |