| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0841NS0541 |
| EPA CompTox | DTXSID201303992 |
Structure
| InChI Key | SIZYAYFVBQLSJP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 |
| AlogP | 2.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5460-45-7 |
| NORMAN SUSDAT | |
| FDA SRS | 0841NS0541 |
| PubChem | 95568 |
CONTENTS
