Molecule ID: mol8844
SMILES: CCOC(=O)c1cccc(NN)c1
InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)7-4-3-5-8(6-7)11-10/h3-6,11H,2,10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.81 | QSARToolbox | 1 » 0 |
| 4.81 | IUPAC digitized pKa | 1 » 0 |
| 4.81 | OCHEM | 1 » 0 |
| 4.81 | AttenGpKa training set | 1 » 0 |