| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S5Z4UV3PFW |
| EPA CompTox | DTXSID10225267 |
Structure
| InChI Key | SZSSMFVYZRQGIM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H16O3 |
| Molecular Weight | 148.11 |
| AlogP | -0.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 60.69 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7426-71-3 |
| NORMAN SUSDAT | |
| FDA SRS | S5Z4UV3PFW |
| PubChem | 81928 |
| ChemSpider | 73935.0 |
CONTENTS
