| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4VH761HOSR |
| EPA CompTox | DTXSID8061898 |
Structure
| InChI Key | ZIWLHBBLQRQFSA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O3 |
| Molecular Weight | 188.14 |
| AlogP | 1.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1708-36-7 |
| NORMAN SUSDAT | |
| FDA SRS | 4VH761HOSR |
| PubChem | 74361 |
| ChemSpider | 66956.0 |
CONTENTS
