| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NR12DKP8EP |
| EPA CompTox | DTXSID30870692 |
Structure
| InChI Key | GBGXVCNOKWAMIP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H14O |
| Molecular Weight | 198.1 |
| AlogP | 2.96 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 614-29-9 |
| NORMAN SUSDAT | |
| FDA SRS | NR12DKP8EP |
| PubChem | 94178 |
CONTENTS
