| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T8K0B3U2HC |
| EPA CompTox | DTXSID1027639 |
Structure
| InChI Key | DJCYDDALXPHSHR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O3 |
| Molecular Weight | 148.11 |
| AlogP | 0.42 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6881-94-3 |
| NORMAN SUSDAT | |
| FDA SRS | T8K0B3U2HC |
| PubChem | 81313 |
| ChemSpider | 73364.0 |
CONTENTS
