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 | YFCZLXRIKFCQFU-BUHFOSPRSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
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Molecular Formula | C18H34O5 | |
Molecular Weight | 330.46 | |
AlogP | 3.69 | |
Hydrogen Bond Acceptor | 5.0 | |
Hydrogen Bond Donor | 4.0 | |
Number of Rotational Bond | 15.0 | |
Polar Surface Area | 97.99 | |
Molecular species | ACID | |
Aromatic Rings | 0.0 | |
Heavy Atoms | 23.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2271639 | |
PubChem | 5321949 |