| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YZC5LZ8BUB |
| EPA CompTox | DTXSID501021557 |
Structure
| InChI Key | CTPDSKVQLSDPLC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.09 |
| AlogP | 0.17 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31692-85-0 |
| NORMAN SUSDAT | |
| FDA SRS | YZC5LZ8BUB |
| PubChem | 110717 |
| ChemSpider | 99372.0 |
CONTENTS
