| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZI9W9E8G2Z |
| EPA CompTox | DTXSID7060417 |
Structure
| InChI Key | NLRKCXQQSUWLCH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O1 |
| Molecular Weight | 107.04 |
| AlogP | 2.08 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.43 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 586-96-9 |
| NORMAN SUSDAT | |
| FDA SRS | ZI9W9E8G2Z |
| PubChem | 11473 |
| ChemSpider | 10989.0 |
CONTENTS
