| Molecule Category | Free-form |
| UNII | 26S837727Y |
| 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 | JYQUHIFYBATCCY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15N2O3PS |
| Molecular Weight | 298.3 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 95.37 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1893890 |
| FDA SRS | 26S837727Y |
| PDB | WYN |
| PubChem | 26124 |
| SureChEMBL | SCHEMBL18079 |
| ZINC | ZINC00900717 |
CONTENTS
