Molecule ID: mol31435
SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)NO
InChI: InChI=1S/C9H12N2O3/c10-8(9(13)11-14)5-6-1-3-7(12)4-2-6/h1-4,8,12,14H,5,10H2,(H,11,13)/t8-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | QSARToolbox | 1 » 0 |
| 7.00 | AttenGpKa training set | 1 » 0 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | AttenGpKa training set | 0 » -1 |
| 10.00 | AttenGpKa training set | -1 » -2 |