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 | SZBONFDNEYPDHO-OSMVPFSASA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
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Molecular Formula | C10H14O3 | |
Molecular Weight | 182.22 | |
AlogP | 0.74 | |
Hydrogen Bond Acceptor | 3.0 | |
Polar Surface Area | 38.83 | |
Heavy Atoms | 13.0 |
Resources | Reference | |
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ChEMBL | CHEMBL2228349 | |
PubChem | 53342411 |