| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E1R4C4A1NO |
| EPA CompTox | DTXSID70862692 |
Structure
| InChI Key | DIVCBWJKVSFZKJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1 |
| AlogP | 1.9 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1561-11-1 |
| NORMAN SUSDAT | |
| FDA SRS | E1R4C4A1NO |
| PubChem | 15271 |
CONTENTS
