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 | RWLIUAAJOWDYHK-UHFFFAOYSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C29H27N7O6S2 | |
Molecular Weight | 633.7 | |
AlogP | 6.25 | |
Hydrogen Bond Acceptor | 12.0 | |
Hydrogen Bond Donor | 5.0 | |
Number of Rotational Bond | 9.0 | |
Polar Surface Area | 242.09 | |
Molecular species | ACID | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 44.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2263049 | |
PubChem | 76315806 |