| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50276531 |
Structure
| InChI Key | VPNMTSAIINVZTK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N2 |
| Molecular Weight | 109.08 |
| AlogP | 0.41 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 8.81 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29322-86-9 |
| NORMAN SUSDAT | |
| PubChem | 163648 |
| ChemSpider | 143534.0 |
CONTENTS
