| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FU45BO16RF |
Structure
| InChI Key | BYNNMWGWFIGTIC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.09 |
| AlogP | 1.57 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 49.69 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 36112-95-5 |
| NORMAN SUSDAT | |
| FDA SRS | FU45BO16RF |
CONTENTS
