| Synonyms | |
| Molecule Category | Free-form |
| UNII | 11A386X1QH |
| EPA CompTox | DTXSID0026913 |
| 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 | SNRUBQQJIBEYMU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H26 |
| Molecular Weight | 170.33 |
| AlogP | 5.85 |
| Number of Rotational Bond | 9.0 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 112-40-3 |
| ChEMBL | CHEMBL30959 |
| FDA SRS | 11A386X1QH |
| PDB | D12 |
| PubChem | 8182 |
| SureChEMBL | SCHEMBL27754 |
| ZINC | ZINC01531085 |
CONTENTS
