| Synonyms | |
| Molecule Category | Free-form |
| UNII | 1Y84986J9Q |
| 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 | DTGKSKDOIYIVQL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O |
| Molecular Weight | 154.25 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 20.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1097205 |
| FDA SRS | 1Y84986J9Q |
| PubChem | 64685 |
| SureChEMBL | SCHEMBL56714 |
CONTENTS
