| Synonyms | |
| Molecule Category | Free-form |
| UNII | 93C6BZW2TV |
| EPA CompTox | DTXSID3047219 |
| 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 | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O |
| Molecular Weight | 140.22 |
| AlogP | 3.2 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2463-53-8 |
| ChEMBL | CHEMBL450072 |
| FDA SRS | 93C6BZW2TV |
| PubChem | 5283335 |
| SureChEMBL | SCHEMBL102464 |
CONTENTS
