| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | LKTJPAUDNOBJAZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.06 |
| AlogP | 1.78 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 48.91 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34810-67-8 |
| NORMAN SUSDAT | |
| PubChem | 819511 |
CONTENTS
