Molecule ID: mol14211
SMILES: NCC(=O)c1ccc(O)cc1
InChI: InChI=1S/C8H9NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | AttenGpKa training set | 0 » -1 |
| 8.05 | Datawarrior | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 9.30 | AttenGpKa training set | 0 » -1 |