| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BBA424N182 |
| EPA CompTox | DTXSID90165218 |
Structure
| InChI Key | WERAOGVQORFBMU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8N2 |
| Molecular Weight | 132.07 |
| AlogP | 1.52 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 36.68 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1531-18-6 |
| NORMAN SUSDAT | |
| FDA SRS | BBA424N182 |
| PubChem | 73739 |
| ChemSpider | 66381.0 |
CONTENTS
