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 | KIRFGKNTAVTMQS-MKFXEVHTSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C28H26N2O7 | |
Molecular Weight | 502.52 | |
AlogP | 5.24 | |
Hydrogen Bond Acceptor | 9.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 11.0 | |
Polar Surface Area | 126.68 | |
Molecular species | ACID | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 37.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2263043 | |
PubChem | 76312255 |