| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | I40B81QBFM |
| EPA CompTox | DTXSID30886218 |
Structure
| InChI Key | VUNFOJWKJSYIDH-SREVYHEPSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O |
| Molecular Weight | 156.15 |
| AlogP | 2.9 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57074-37-0 |
| NORMAN SUSDAT | |
| FDA SRS | I40B81QBFM |
| PubChem | 5362798 |
CONTENTS
