| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X9650F9KG5 |
| EPA CompTox | DTXSID30182828 |
Structure
| InChI Key | BVFWKBCHXXZOJJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N1O1 |
| Molecular Weight | 151.1 |
| AlogP | 1.66 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 28672-54-0 |
| NORMAN SUSDAT | |
| FDA SRS | X9650F9KG5 |
| PubChem | 98758 |
| ChemSpider | 89197.0 |
CONTENTS
