Molecule ID: mol3460
SMILES: CC(C)NCC(O)c1cccc(F)c1
InChI: InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-4-3-5-10(12)6-9/h3-6,8,11,13-14H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | OCHEM | 1 » 0 |
| 9.44 | QSARToolbox | 1 » 0 |
| 9.44 | IUPAC digitized pKa | 1 » 0 |
| 9.48 | OCHEM | 1 » 0 |
| 9.48 | QSARToolbox | 1 » 0 |
| 9.48 | QSARToolbox | 1 » 0 |
| 9.48 | IUPAC digitized pKa | 1 » 0 |
| 9.48 | Datawarrior | 1 » 0 |