| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F7IY6HZG9D |
| EPA CompTox | DTXSID3026225 |
Structure
| InChI Key | IUCJMVBFZDHPDX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12N6 |
| Molecular Weight | 204.11 |
| AlogP | -0.67 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 47.7 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51-18-3 |
| NORMAN SUSDAT | |
| FDA SRS | F7IY6HZG9D |
| PubChem | 5799 |
| ChemSpider | 5594.0 |
CONTENTS
