| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W8PKA3T2I3 |
| EPA CompTox | DTXSID90144508 |
Structure
| InChI Key | CUQCMXFWIMOWRP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11N5 |
| Molecular Weight | 177.1 |
| AlogP | 0.52 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 97.78 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 102-02-3 |
| NORMAN SUSDAT | |
| FDA SRS | W8PKA3T2I3 |
| PubChem | 4780 |
| ChemSpider | 4616.0 |
CONTENTS
