| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KLF1HS0SXJ |
| EPA CompTox | DTXSID0075368 |
Structure
| InChI Key | RODXRVNMMDRFIK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.04 |
| AlogP | 1.51 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 59.67 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 92-61-5 |
| NORMAN SUSDAT | |
| FDA SRS | KLF1HS0SXJ |
| PubChem | 5280460 |
| ChemSpider | 4444113.0 |
CONTENTS
