| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C2ZWT499SG |
| EPA CompTox | DTXSID10159199 |
Structure
| InChI Key | TZMSYXZUNZXBOL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9N1O1 |
| Molecular Weight | 183.07 |
| AlogP | 3.54 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 21.26 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 135-67-1 |
| NORMAN SUSDAT | |
| FDA SRS | C2ZWT499SG |
| PubChem | 67278 |
| ChemSpider | 60610.0 |
CONTENTS
