| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6Z65LJV61M |
| EPA CompTox | DTXSID90214497 |
Structure
| InChI Key | MLLNFQCJOXJITQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.08 |
| AlogP | 3.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 39.42 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 64280-32-6 |
| NORMAN SUSDAT | |
| FDA SRS | 6Z65LJV61M |
CONTENTS
