| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5E1J7NVT2N |
| EPA CompTox | DTXSID4069139 |
Structure
| InChI Key | GSVQZEKWEURMLP-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 | 56891-99-7 |
| NORMAN SUSDAT | |
| FDA SRS | 5E1J7NVT2N |
CONTENTS
