| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J58BUB22P5 |
| EPA CompTox | DTXSID40147862 |
Structure
| InChI Key | RTTWLTLNKLTUJR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O1 |
| Molecular Weight | 98.07 |
| AlogP | 1.54 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1070-13-9 |
| NORMAN SUSDAT | |
| FDA SRS | J58BUB22P5 |
| PubChem | 70609 |
| ChemSpider | 63777.0 |
CONTENTS
