| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4RK62SH433 |
| EPA CompTox | DTXSID90221606 |
Structure
| InChI Key | OALRPMSYTYFUEP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1O2 |
| Molecular Weight | 139.06 |
| AlogP | 0.56 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 66.48 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71412-23-2 |
| NORMAN SUSDAT | |
| FDA SRS | 4RK62SH433 |
| PubChem | 117159 |
| ChemSpider | 104689.0 |
CONTENTS
