| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 696RG5CG8X |
| EPA CompTox | DTXSID00166175 |
Structure
| InChI Key | BMFMQGXDDJALKQ-BYPYZUCNSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H13N3O3 |
| Molecular Weight | 175.1 |
| AlogP | -1.3 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 119.43 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 157-07-3 |
| NORMAN SUSDAT | |
| FDA SRS | 696RG5CG8X |
CONTENTS
