| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8F9Y9H2BMJ |
| EPA CompTox | DTXSID60192814 |
Structure
| InChI Key | XAOHWSFGKCJOGT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H15N3O1 |
| Molecular Weight | 145.12 |
| AlogP | -1.53 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.73 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3973-70-4 |
| NORMAN SUSDAT | |
| FDA SRS | 8F9Y9H2BMJ |
| PubChem | 77597 |
| ChemSpider | 70002.0 |
CONTENTS
