| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GES5WP2ANB |
| EPA CompTox | DTXSID80240205 |
Structure
| InChI Key | IKFSGYFNHOQVPF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H18O3 |
| Molecular Weight | 270.13 |
| AlogP | 2.88 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94006-12-9 |
| NORMAN SUSDAT | |
| FDA SRS | GES5WP2ANB |
| PubChem | 3023248 |
| ChemSpider | 2289512.0 |
CONTENTS
