| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00974055 |
Structure
| InChI Key | GZYFIMLSHBLMKF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N3O3 |
| Molecular Weight | 147.06 |
| AlogP | -1.52 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 119.43 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 585-23-9 |
| NORMAN SUSDAT |
CONTENTS
