| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X015V3LF01 |
Structure
| InChI Key | LIRHINFDFZWXPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H6N8 |
| Molecular Weight | 238.07 |
| AlogP | 0.46 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 97.54 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 95104-27-1 |
| NORMAN SUSDAT | |
| FDA SRS | X015V3LF01 |
CONTENTS
