Synonyms | |
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 | FFAVTICKABAMSV-UHFFFAOYSA-N | |
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Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C15H11ClN2O | |
Molecular Weight | 270.71 | |
AlogP | 3.99 | |
Hydrogen Bond Acceptor | 3.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 2.0 | |
Polar Surface Area | 45.15 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 19.0 |
Resources | Reference | |
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ChEMBL | CHEMBL375673 | |
PubChem | 224178 | |
SureChEMBL | SCHEMBL2012878 | |
ZINC | ZINC00323854 |