| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 13MIC79314 |
| EPA CompTox | DTXSID2027884 |
Structure
| InChI Key | ISBHMJZRKAFTGE-ARJAWSKDSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7N1 |
| Molecular Weight | 81.06 |
| AlogP | 1.48 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 25899-50-7 |
| NORMAN SUSDAT | |
| FDA SRS | 13MIC79314 |
| PubChem | 6433944 |
| ChemSpider | 4938941.0 |
CONTENTS
