| Molecule Category | Free-form |
| UNII | VR3C36EKJR |
| 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 | UUGLJVMIFJNVFH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.28 |
| AlogP | 3.93 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2260717 |
| FDA SRS | VR3C36EKJR |
| PubChem | 23235 |
| SureChEMBL | SCHEMBL112029 |
| ZINC | ZINC02029851 |
CONTENTS
