| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NCW25Q2KZD |
| EPA CompTox | DTXSID60203651 |
Structure
| InChI Key | RXQJGYAUTJRBMH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.18 |
| AlogP | 3.4 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 55145-34-1 |
| NORMAN SUSDAT | |
| FDA SRS | NCW25Q2KZD |
| PubChem | 3016936 |
| ChemSpider | 2284781.0 |
CONTENTS
