| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SH8VL8DN9E |
| EPA CompTox | DTXSID00177509 |
Structure
| InChI Key | DKQSRQLSDPYGCJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H10N2 |
| Molecular Weight | 170.08 |
| AlogP | 2.25 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 28.15 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22961-45-1 |
| NORMAN SUSDAT | |
| FDA SRS | SH8VL8DN9E |
| PubChem | 89945 |
| ChemSpider | 81193.0 |
CONTENTS
