| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KZJ638H257 |
| EPA CompTox | DTXSID70862511 |
Structure
| InChI Key | GBOMEIMCQWMHGB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12 |
| AlogP | 2.36 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1004-29-1 |
| NORMAN SUSDAT | |
| FDA SRS | KZJ638H257 |
| PubChem | 13861 |
CONTENTS
