| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 94J6S5QG27 |
| EPA CompTox | DTXSID801294581 |
Structure
| InChI Key | YIAZXUFZAYNWTP-XBXARRHUSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.04 |
| AlogP | 0.91 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 73.05 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5399-68-8 |
| NORMAN SUSDAT | |
| FDA SRS | 94J6S5QG27 |
| PubChem | 135408746 |
CONTENTS
