| Synonyms | |
| Molecule Category | Free-form |
| UNII | NK85062OIY |
| EPA CompTox | DTXSID6024913 |
| 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 | DIOQZVSQGTUSAI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H22 |
| Molecular Weight | 142.28 |
| AlogP | 4.93 |
| Number of Rotational Bond | 7.0 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 124-18-5 |
| ChEMBL | CHEMBL134537 |
| FDA SRS | NK85062OIY |
| PDB | D10 |
| PubChem | 15600 |
| SureChEMBL | SCHEMBL20870 |
| ZINC | ZINC01648227 |
CONTENTS
