| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X2NH3RN7C3 |
| EPA CompTox | DTXSID5063651 |
Structure
| InChI Key | NWELCUKYUCBVKK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7N3 |
| Molecular Weight | 109.06 |
| AlogP | 0.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 50.94 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4930-98-7 |
| NORMAN SUSDAT | |
| FDA SRS | X2NH3RN7C3 |
| PubChem | 78645 |
| ChemSpider | 59496.0 |
CONTENTS
