Molecule Category | Free-form |
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 | RJBYGLXLDAHXFU-JXMROGBWSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
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Molecular Formula | C24H25BrO4 | |
Molecular Weight | 457.36 | |
AlogP | 6.57 | |
Hydrogen Bond Acceptor | 4.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 8.0 | |
Polar Surface Area | 55.76 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 29.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2296561 | |
PubChem | 76309471 |