| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PN2GZ55G8R |
| EPA CompTox | DTXSID30145695 |
Structure
| InChI Key | OFCBNMYNAHUDGE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H2Cl1N3O2 |
| Molecular Weight | 158.98 |
| AlogP | 1.04 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 68.92 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10320-42-0 |
| NORMAN SUSDAT | |
| FDA SRS | PN2GZ55G8R |
| PubChem | 82544 |
| ChemSpider | 70680.0 |
CONTENTS
