Molecule ID: mol5255
SMILES: Nc1c(O)cccc1C(=O)O
InChI: InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.99 | OCHEM | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 2.50 | AttenGpKa training set | 1 » 0 |
| 5.19 | IUPAC digitized pKa | 0 » -1 |
| 5.19 | OCHEM | 0 » -1 |
| 5.19 | OCHEM | 0 » -1 |
| 5.19 | IUPAC digitized pKa | 0 » -1 |
| 5.20 | QSARToolbox | 0 » -1 |
| 5.20 | AttenGpKa training set | 0 » -1 |
| 10.09 | AttenGpKa training set | -1 » -2 |
| 10.10 | IUPAC digitized pKa | -1 » -2 |
| 10.12 | IUPAC digitized pKa | -1 » -2 |
| 10.12 | OCHEM | -1 » -2 |