| Molecule Category | Free-form |
| UNII | OE5S7E3U0H |
| 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 | LTQSAUHRSCMPLD-CMDGGOBGSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16NO3PS2 |
| Molecular Weight | 269.32 |
| AlogP | 2.53 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 108.3 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2272786 |
| FDA SRS | OE5S7E3U0H |
| PubChem | 9568069 |
| SureChEMBL | SCHEMBL117722 |
CONTENTS
