| Molecule Category | Free-form |
| UNII | I7T5V2W47R |
| 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 | SQQWBSBBCSFQGC-JLHYYAGUSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H26O4 |
| Molecular Weight | 318.41 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1236595 |
| FDA SRS | I7T5V2W47R |
| PDB | UQ2 |
| PubChem | 5280346 |
| SureChEMBL | SCHEMBL623496 |
CONTENTS
