| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J6BD44GTPJ |
| EPA CompTox | DTXSID2060256 |
Structure
| InChI Key | DUJMVKJJUANUMQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11N1 |
| Molecular Weight | 97.09 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 542-54-1 |
| NORMAN SUSDAT | |
| FDA SRS | J6BD44GTPJ |
| PubChem | 10956 |
| ChemSpider | 10491.0 |
CONTENTS
