| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ESB1JZR15X |
| EPA CompTox | DTXSID8071015 |
Structure
| InChI Key | QFGMXPJWRJAIMB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2O1 |
| Molecular Weight | 152.09 |
| AlogP | 1.61 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.01 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68039-46-3 |
| NORMAN SUSDAT | |
| FDA SRS | ESB1JZR15X |
CONTENTS
