| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90206150 |
Structure
| InChI Key | BOJZBRDIZUHTCE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H2Cl1N3O2 |
| Molecular Weight | 146.98 |
| AlogP | 0.97 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 71.82 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57531-37-0 |
| NORMAN SUSDAT | |
| PubChem | 42409 |
| ChemSpider | 38678.0 |
CONTENTS
