Molecule ID: mol13881
SMILES: NC(=O)C(N)Cc1ccc(O)cc1
InChI: InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.33 | QSARToolbox | 1 » 0 |
| 7.37 | QSARToolbox | 1 » 0 |
| 7.47 | OCHEM | 1 » 0 |
| 7.47 | Datawarrior | 1 » 0 |
| 9.94 | Datawarrior | 0 » -1 |