| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GP9HDE43LE |
| EPA CompTox | DTXSID90179411 |
Structure
| InChI Key | IXWOUPGDGMCKGT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.03 |
| AlogP | 0.91 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24677-78-9 |
| NORMAN SUSDAT | |
| FDA SRS | GP9HDE43LE |
| PubChem | 90579 |
| ChemSpider | 81781.0 |
CONTENTS
