| Molecule Category | Free-form |
| UNII | XOC9Q2DLMI |
| 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 | APTZNLHMIGJTEW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H13Cl2F3N2O4 |
| Molecular Weight | 413.18 |
| AlogP | 4.93 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 62.58 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1905010 |
| FDA SRS | XOC9Q2DLMI |
| SureChEMBL | SCHEMBL53390 |
| ZINC | ZINC13828120 |
CONTENTS
