| Synonyms | |
| Molecule Category | Free-form |
| UNII | A3LZF0L939 |
| EPA CompTox | DTXSID6027266 |
| 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 | IIYFAKIEWZDVMP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H28 |
| Molecular Weight | 184.36 |
| AlogP | 6.3 |
| Number of Rotational Bond | 10.0 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 629-50-5 |
| ChEMBL | CHEMBL135694 |
| FDA SRS | A3LZF0L939 |
| PDB | TRD |
| PubChem | 12388 |
| SureChEMBL | SCHEMBL33647 |
CONTENTS
