| Synonyms | |
| Molecule Category | Free-form |
| UNII | 456148SDMJ |
| EPA CompTox | DTXSID6024127 |
| 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 | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16 |
| Molecular Weight | 100.2 |
| AlogP | 3.56 |
| Number of Rotational Bond | 4.0 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 142-82-5 |
| ChEMBL | CHEMBL134658 |
| FDA SRS | 456148SDMJ |
| PDB | HP6 |
| PubChem | 8900 |
| SureChEMBL | SCHEMBL699 |
CONTENTS
