| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P917JW98BD |
| EPA CompTox | DTXSID00197646 |
Structure
| InChI Key | OSJUNMSWBBOTQU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H4Cl1N3O2 |
| Molecular Weight | 161.0 |
| AlogP | 0.98 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 60.96 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4897-25-0 |
| NORMAN SUSDAT | |
| FDA SRS | P917JW98BD |
| PubChem | 21010 |
| ChemSpider | 19763.0 |
CONTENTS
