| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 387DQL493M |
| EPA CompTox | DTXSID9042388 |
Structure
| InChI Key | HKAMKLBXTLTVCN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H15N5O1 |
| Molecular Weight | 197.13 |
| AlogP | -0.41 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 78.42 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 673-04-1 |
| NORMAN SUSDAT | |
| FDA SRS | 387DQL493M |
| PubChem | 12654 |
| ChemSpider | 12133.0 |
CONTENTS
