Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
InChI Key | GBIHOLCMZGAKNG-UHFFFAOYSA-N |
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Smiles | |
InChI |
|
Property Name | Value |
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Molecular Formula | C26H23F2NO4 |
Molecular Weight | 451.46 |
AlogP | 6.71 |
Hydrogen Bond Acceptor | 5.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 10.0 |
Polar Surface Area | 68.55 |
Molecular species | None |
Aromatic Rings | 3.0 |
Heavy Atoms | 33.0 |
Resources | Reference |
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ChEMBL | CHEMBL2289397 |
PubChem | 50980 |
SureChEMBL | SCHEMBL682196 |