| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2QTV2A0T5Q |
| EPA CompTox | DTXSID9052638 |
Structure
| InChI Key | ORIHZIZPTZTNCU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.05 |
| AlogP | 1.2 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 52.82 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-67-7 |
| NORMAN SUSDAT | |
| FDA SRS | 2QTV2A0T5Q |
| PubChem | 135408751 |
CONTENTS
