Molecule ID: mol13386
SMILES: O=C1NC(=O)C(Cc2ccccc2)N1
InChI: InChI=1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.03 | OCHEM | 0 » -1 |
| 9.03 | QSARToolbox | 0 » -1 |
| 9.03 | Datawarrior | 0 » -1 |
| 9.03 | AttenGpKa training set | 0 » -1 |
| 9.22 | QSARToolbox | 0 » -1 |