| Molecule Category | Free-form |
| UNII | 7QWM220FJH |
| EPA CompTox | DTXSID0026044 |
| 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 | YYGNTYWPHWGJRM-AAJYLUCBSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C30H50 |
| Molecular Weight | 410.72 |
| AlogP | 11.33 |
| Number of Rotational Bond | 15.0 |
| Heavy Atoms | 30.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 111-02-4 |
| ChEMBL | CHEMBL458402 |
| FDA SRS | 7QWM220FJH |
| PDB | SQL |
| PubChem | 638072 |
| SureChEMBL | SCHEMBL15403 |
CONTENTS
