| Synonyms | |
| Molecule Category | Free-form |
| UNII | 62DH7GEL1P |
| 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 ... |
Structure
| InChI Key | IBSNKSODLGJUMQ-SDNWHVSQSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H16F3NO4 |
| Molecular Weight | 367.32 |
| AlogP | 3.9 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 57.65 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL522759 |
| FDA SRS | 62DH7GEL1P |
| SureChEMBL | SCHEMBL18977 |
| ZINC | ZINC34872909 |
CONTENTS
