| Molecule Category | Free-form |
| 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 | YMDYUZXEFIMROM-CSKARUKUSA-N | |
|---|---|---|
| Smiles | ||
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C12H14O2S | |
| Molecular Weight | 222.3 | |
| AlogP | 2.56 | |
| Hydrogen Bond Acceptor | 3.0 | |
| Number of Rotational Bond | 6.0 | |
| Polar Surface Area | 51.6 | |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference | |
|---|---|---|
| ChEMBL | CHEMBL2252206 | |
| PubChem | 76319152 |
CONTENTS
