| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IE9M6JG949 |
| EPA CompTox | DTXSID50183579 |
Structure
| InChI Key | QVWDCUMRWIBGJX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1O2 |
| Molecular Weight | 139.06 |
| AlogP | 0.7 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 42.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29342-02-7 |
| NORMAN SUSDAT | |
| FDA SRS | IE9M6JG949 |
CONTENTS
