| Molecule Category | Free-form |
| UNII | 5E3V59Y698 |
| 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 | QGQSRQPXXMTJCM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O4S |
| Molecular Weight | 256.32 |
| AlogP | 2.39 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.98 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2252194 |
| FDA SRS | 5E3V59Y698 |
| PubChem | 3034378 |
| SureChEMBL | SCHEMBL54959 |
| ZINC | ZINC25726780 |
CONTENTS
