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 | BEOBTSDHZXSZDU-UHFFFAOYSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C33H33FN2O4 | |
Molecular Weight | 540.62 | |
AlogP | 6.07 | |
Hydrogen Bond Acceptor | 4.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 9.0 | |
Polar Surface Area | 84.24 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 4.0 | |
Heavy Atoms | 40.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2296961 | |
PubChem | 73761132 |