| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S1H449R92T |
| EPA CompTox | DTXSID0060640 |
Structure
| InChI Key | NHXSTXWKZVAVOQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.05 |
| AlogP | 1.46 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 39.44 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 614-99-3 |
| NORMAN SUSDAT | |
| FDA SRS | S1H449R92T |
| PubChem | 11980 |
| ChemSpider | 11485.0 |
CONTENTS
