| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | NXHNEWMDVUHUCV-VMPITWQZSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.1 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 75.99 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94441-99-3 |
| NORMAN SUSDAT | |
| PubChem | 6438580 |
CONTENTS
