| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P967U9WX3A |
| EPA CompTox | DTXSID70192926 |
Structure
| InChI Key | KYBCXTTWIOZBNR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H19N3O1 |
| Molecular Weight | 197.15 |
| AlogP | -0.49 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.58 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39890-45-4 |
| NORMAN SUSDAT | |
| FDA SRS | P967U9WX3A |
| PubChem | 100614 |
| ChemSpider | 90907.0 |
CONTENTS
