| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5WWI848YA7 |
| EPA CompTox | DTXSID70182524 |
Structure
| InChI Key | XVMFICQRQHBOOT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7N5O1 |
| Molecular Weight | 141.07 |
| AlogP | -1.29 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 101.4 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2827-45-4 |
| NORMAN SUSDAT | |
| FDA SRS | 5WWI848YA7 |
CONTENTS
