| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 55EB58H2UP |
| EPA CompTox | DTXSID0025991 |
Structure
| InChI Key | JSTCPNFNKICNNO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O2 |
| Molecular Weight | 123.03 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 49.66 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 104-91-6 |
| NORMAN SUSDAT | |
| FDA SRS | 55EB58H2UP |
| PubChem | 7729 |
| ChemSpider | 7443.0 |
CONTENTS
