| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90192908 |
Structure
| InChI Key | OLYQLAFJZQNFCK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N3 |
| Molecular Weight | 137.1 |
| AlogP | 0.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.88 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39856-52-5 |
| NORMAN SUSDAT | |
| PubChem | 5743468 |
| ChemSpider | 4675346.0 |
CONTENTS
