| Synonyms | |
| Molecule Category | Free-form |
| UNII | 2DDG612ED8 |
| EPA CompTox | DTXSID0021917 |
| 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 | VLKZOEOYAKHREP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H14 |
| Molecular Weight | 86.18 |
| AlogP | 3.11 |
| Number of Rotational Bond | 3.0 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 110-54-3 |
| ChEMBL | CHEMBL15939 |
| FDA SRS | 2DDG612ED8 |
| PDB | HEX |
| PubChem | 8058 |
| SureChEMBL | SCHEMBL399 |
| ZINC | ZINC01532209 |
CONTENTS
