| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X34DV3E856 |
| EPA CompTox | DTXSID30158902 |
Structure
| InChI Key | LNPMZQXEPNWCMG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2 |
| Molecular Weight | 136.1 |
| AlogP | 0.77 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.04 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13472-00-9 |
| NORMAN SUSDAT | |
| FDA SRS | X34DV3E856 |
| PubChem | 72895 |
| ChemSpider | 65727.0 |
CONTENTS
