| Synonyms | |
| Molecule Category | Salt-form |
| UNII | GKN429M9VS |
| 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 | MDIGAZPGKJFIAH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13ClN2O |
| Molecular Weight | 212.68 |
| AlogP | 1.31 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 62.03 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL535832 |
| FDA SRS | GKN429M9VS |
| PubChem | 160436 |
| SureChEMBL | SCHEMBL379650 |
CONTENTS
