| Molecule Category | Free-form |
| UNII | 3CY5EKL6MT |
| 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 | DOFZAZXDOSGAJZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H19O2PS3 |
| Molecular Weight | 274.4 |
| AlogP | 2.95 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 110.96 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1332314 |
| FDA SRS | 3CY5EKL6MT |
| PubChem | 3118 |
| SureChEMBL | SCHEMBL27180 |
| ZINC | ZINC02040888 |
CONTENTS
