| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 111113M8RT |
| EPA CompTox | DTXSID3041293 |
Structure
| InChI Key | FUIQBJHUESBZNU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N1O1 |
| Molecular Weight | 151.1 |
| AlogP | 1.45 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 23.47 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 120-65-0 |
| NORMAN SUSDAT | |
| FDA SRS | 111113M8RT |
| ChemSpider | 30479.0 |
CONTENTS
