| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | UDWKFPQPWSWXHC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.06 |
| AlogP | 2.04 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 45.48 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39977-73-6 |
| NORMAN SUSDAT | |
| PubChem | 3016128 |
CONTENTS
