| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N5YYY1NEUI |
| EPA CompTox | DTXSID2052572 |
Structure
| InChI Key | KHUFHLFHOQVFGB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H9N1O2 |
| Molecular Weight | 223.06 |
| AlogP | 2.04 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 60.16 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 82-45-1 |
| NORMAN SUSDAT | |
| FDA SRS | N5YYY1NEUI |
| PubChem | 6710 |
| ChemSpider | 6454.0 |
CONTENTS
