| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B15A4L4Y1J |
| EPA CompTox | DTXSID4047882 |
Structure
| InChI Key | GJLNWLVPAHNBQN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10O3 |
| Molecular Weight | 214.06 |
| AlogP | 2.61 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17696-62-7 |
| NORMAN SUSDAT | |
| FDA SRS | B15A4L4Y1J |
| PubChem | 87250 |
| ChemSpider | 78707.0 |
CONTENTS
