Molecule ID: mol28941
SMILES: CNc1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C7H10NO3P/c1-8-6-2-4-7(5-3-6)12(9,10)11/h2-5,8H,1H3,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.58 | QSARToolbox | -1 » -2 |
| 7.58 | AttenGpKa training set | -1 » -2 |
| 7.85 | OCHEM | -1 » -2 |