| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 12M0RVW018 |
| EPA CompTox | DTXSID90866157 |
Structure
| InChI Key | QNJWQAYYVNKOKR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10Cl1N3O3 |
| Molecular Weight | 231.04 |
| AlogP | 1.23 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 101.42 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50610-28-1 |
| NORMAN SUSDAT | |
| FDA SRS | 12M0RVW018 |
| PubChem | 5490271 |
| ChemSpider | 4590314.0 |
CONTENTS
