Molecule ID: mol14171
SMILES: NCC(=O)Nc1ccccc1
InChI: InChI=1S/C8H10N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.28 | QSARToolbox | 1 » 0 |
| 8.12 | OCHEM | 1 » 0 |
| 8.12 | Datawarrior | 1 » 0 |
| 8.53 | QSARToolbox | 1 » 0 |