| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RN93QNW234 |
| EPA CompTox | DTXSID20185727 |
Structure
| InChI Key | WFUUAJVRMXKBBI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.15 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3187-27-7 |
| NORMAN SUSDAT | |
| FDA SRS | RN93QNW234 |
| PubChem | 76657 |
CONTENTS
