| Synonyms | |
| Molecule Category | Free-form |
| UNII | 3UN9F9ZJ43 |
| 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 | WKBPZYKAUNRMKP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H15Cl2N3 |
| Molecular Weight | 284.18 |
| AlogP | 4.26 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 30.71 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL481474 |
| FDA SRS | 3UN9F9ZJ43 |
| PubChem | 91693 |
| SureChEMBL | SCHEMBL24791 |
CONTENTS
