Molecule ID: mol24796
SMILES: CCOC(=O)c1ccccc1NN
InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)7-5-3-4-6-8(7)11-10/h3-6,11H,2,10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | QSARToolbox | 1 » 0 |
| 4.66 | OCHEM | 1 » 0 |
| 4.66 | AttenGpKa training set | 1 » 0 |