Molecule ID: mol5443
SMILES: COC(=O)C(N)Cc1ccccc1
InChI: InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | IUPAC digitized pKa | 1 » 0 |
| 7.00 | Datawarrior | 1 » 0 |
| 7.00 | OCHEM | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |
| 7.39 | QSARToolbox | 1 » 0 |