| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JR1C033485 |
| EPA CompTox | DTXSID6029252 |
Structure
| InChI Key | CRHLZRRTZDFDAJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O2 |
| Molecular Weight | 104.08 |
| AlogP | 0.75 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3085-35-6 |
| NORMAN SUSDAT | |
| FDA SRS | JR1C033485 |
| PubChem | 76516 |
| ChemSpider | 68985.0 |
CONTENTS
