| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HK4L7KQC0J |
| EPA CompTox | DTXSID30183658 |
Structure
| InChI Key | TUVONOFKFDJHBJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2O1 |
| Molecular Weight | 138.08 |
| AlogP | 0.42 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 48.14 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29450-07-5 |
| NORMAN SUSDAT | |
| FDA SRS | HK4L7KQC0J |
| PubChem | 96890 |
| ChemSpider | 87483.0 |
CONTENTS
