| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B62BR9H4XC |
| EPA CompTox | DTXSID0075154 |
Structure
| InChI Key | TYHHDWAHJRRYCU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O5 |
| Molecular Weight | 197.03 |
| AlogP | 1.06 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 89.67 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1878-87-1 |
| NORMAN SUSDAT | |
| FDA SRS | B62BR9H4XC |
| PubChem | 15883 |
| ChemSpider | 15096.0 |
CONTENTS
