| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 008LR748FI |
| EPA CompTox | DTXSID5022011 |
Structure
| InChI Key | JJVNINGBHGBWJH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.05 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 148-53-8 |
| NORMAN SUSDAT | |
| FDA SRS | 008LR748FI |
| PubChem | 8991 |
| ChemSpider | 21105848.0 |
CONTENTS
