| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1C56OTB30J |
| EPA CompTox | DTXSID8041452 |
Structure
| InChI Key | ROMXEVFSCNLHAB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16O1 |
| Molecular Weight | 164.12 |
| AlogP | 3.3 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 87-26-3 |
| NORMAN SUSDAT | |
| FDA SRS | 1C56OTB30J |
| PubChem | 99016 |
| ChemSpider | 89441.0 |
CONTENTS
