Molecule ID: mol21766
SMILES: N#Cc1cccc(OCC(=O)O)c1
InChI: InChI=1S/C9H7NO3/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-4H,6H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | OCHEM | 0 » -1 |
| 3.03 | AttenGpKa training set | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |