| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BX2MKR427K |
| EPA CompTox | DTXSID80866303 |
Structure
| InChI Key | WMJNWYCBXNTPQN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.05 |
| AlogP | -0.15 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 91.27 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53131-74-1 |
| NORMAN SUSDAT | |
| FDA SRS | BX2MKR427K |
CONTENTS
