| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 452WZ637M8 |
Structure
| InChI Key | AAIBYZBZXNWTPP-NEPJUHHUSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O |
| Molecular Weight | 176.12 |
| AlogP | 2.71 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2362-61-0 |
| NORMAN SUSDAT | |
| FDA SRS | 452WZ637M8 |
CONTENTS
