| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PWQ957CD7S |
| EPA CompTox | DTXSID40231715 |
Structure
| InChI Key | FHYMLBVGNFVFBT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O3 |
| Molecular Weight | 139.03 |
| AlogP | 0.02 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 64.24 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 824-40-8 |
| NORMAN SUSDAT | |
| FDA SRS | PWQ957CD7S |
| PubChem | 69986 |
| ChemSpider | 63178.0 |
CONTENTS
