| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60990337 |
Structure
| InChI Key | KVBCPXQQODIKLZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H32O2 |
| Molecular Weight | 256.24 |
| AlogP | 4.45 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 70092-45-4 |
| NORMAN SUSDAT | |
| PubChem | 3017985 |
CONTENTS
