| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 333QVA4G2Q |
| EPA CompTox | DTXSID0027270 |
Structure
| InChI Key | REIUXOLGHVXAEO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H32O1 |
| Molecular Weight | 228.25 |
| AlogP | 5.07 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 629-76-5 |
| NORMAN SUSDAT | |
| FDA SRS | 333QVA4G2Q |
| PubChem | 12397 |
| ChemSpider | 11891.0 |
CONTENTS
