Synonyms | |
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 | HBWJZSWEQJLURT-QIGLBIQCSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
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Molecular Formula | C25H30O5 | |
Molecular Weight | 410.5 | |
AlogP | 5.7 | |
Hydrogen Bond Acceptor | 5.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 9.0 | |
Polar Surface Area | 80.67 | |
Molecular species | ACID | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 30.0 |
Resources | Reference | |
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ChEMBL | CHEMBL462962 |