| Molecule Category | Free-form |
| UNII | O49S38267J |
| 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 | HRBKVYFZANMGRE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl3NO3PS |
| Molecular Weight | 322.53 |
| AlogP | 3.9 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 82.48 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1370646 |
| FDA SRS | O49S38267J |
| SureChEMBL | SCHEMBL27546 |
| ZINC | ZINC02037154 |
CONTENTS
