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 | BOLGISBOGIJPET-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C26H29NO7 | |
Molecular Weight | 467.51 | |
AlogP | 3.75 | |
Hydrogen Bond Acceptor | 7.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 7.0 | |
Polar Surface Area | 83.53 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 34.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2230070 | |
PubChem | 50905648 |