| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RW47ZKR2X7 |
| EPA CompTox | DTXSID90196249 |
Structure
| InChI Key | LURYMYITPCOQAU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5NO2 |
| Molecular Weight | 147.03 |
| AlogP | 1.16 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.5 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4461-33-0 |
| NORMAN SUSDAT | |
| FDA SRS | RW47ZKR2X7 |
| PubChem | 78210 |
CONTENTS
