| Molecule Category | Free-form |
| UNII | 3051U1Z8KV |
| 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 | IRCMYGHHKLLGHV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O5S |
| Molecular Weight | 286.34 |
| AlogP | 2.46 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 70.21 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2133153 |
| FDA SRS | 3051U1Z8KV |
| PubChem | 33360 |
| SureChEMBL | SCHEMBL55264 |
CONTENTS
