| Synonyms | |
| Molecule Category | Free-form |
| UNII | GX543OLT0R |
| EPA CompTox | DTXSID9022104 |
| 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 | ZAJNGDIORYACQU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O |
| Molecular Weight | 156.27 |
| AlogP | 3.3 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 693-54-9 |
| ChEMBL | CHEMBL47127 |
| FDA SRS | GX543OLT0R |
| PubChem | 12741 |
| SureChEMBL | SCHEMBL103053 |
CONTENTS
