| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X4YG6ZD5FH |
| EPA CompTox | DTXSID90196163 |
Structure
| InChI Key | NZEBWPHHIQAVOH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O |
| Molecular Weight | 156.15 |
| AlogP | 2.73 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4441-57-0 |
| NORMAN SUSDAT | |
| FDA SRS | X4YG6ZD5FH |
| PubChem | 78182 |
CONTENTS
