| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RBU553S74C |
| EPA CompTox | DTXSID0063153 |
Structure
| InChI Key | TXQWFIVRZNOPCK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.07 |
| AlogP | 0.54 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 38.91 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3731-53-1 |
| NORMAN SUSDAT | |
| FDA SRS | RBU553S74C |
| PubChem | 77317 |
| ChemSpider | 69736.0 |
CONTENTS
