diflunisal
- CAS:
- Other names:
- SMILES: OC(=O)c1cc(ccc1O)c2ccc(F)cc2F
Properties
MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
---|---|---|---|---|---|---|---|---|
250.20 | 3 | 2 | 3.04 | 57.53 | 2 | 59 | 0.00 | C13H8F2O3 |
Availability
Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
---|---|---|---|---|---|---|
SF_C1666 | None | Jan. 1, 2023 |
Bar codes
Plate barcode | Sample barcode |
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PAINS
Identified PAINS |
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Not checked |
Supramolecules
Name | log K | SD | pH | T(°C) | Method | Ref |
---|---|---|---|---|---|---|
[Randomly methylated-b-Cyclodextrin (DS ~12)](2).[diflunisal] | 1.94 | 1.43 | 7.0 | 25.0 | NMR spectroscopy | John H. Coates 1988 |
[g-Cyclodextrin](1).[diflunisal] | 4.74 | 3.30 | 7.0 | 25.0 | UV-vis spectroscopy | John H. Coates 1988 |
[g-Cyclodextrin](2).[diflunisal] | 4.36 | 3.30 | 7.0 | 25.0 | NMR spectroscopy | John H. Coates 1988 |
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[diflunisal] | 4.84 | 2.30 | 7.0 | 25.0 | UV-vis spectroscopy | John H. Coates 1988 |