| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6PR4L1KTAZ |
| EPA CompTox | DTXSID001315543 |
Structure
| InChI Key | XKZKQTCECFWKBN-SREVYHEPSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13 |
| AlogP | 2.99 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 505-90-8 |
| NORMAN SUSDAT | |
| FDA SRS | 6PR4L1KTAZ |
| PubChem | 5312351 |
CONTENTS
