| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10169278 |
Structure
| InChI Key | JYKHAJGLEVKEAA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H10O3 |
| Molecular Weight | 238.06 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 54.37 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17241-59-7 |
| NORMAN SUSDAT | |
| PubChem | 87014 |
| ChemSpider | 78489.0 |
CONTENTS
