| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5F2BK3NSLK |
| EPA CompTox | DTXSID2068391 |
Structure
| InChI Key | PIPKLZRJGNJMBY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6Cl1N3O2 |
| Molecular Weight | 187.01 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 95.18 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42389-30-0 |
| NORMAN SUSDAT | |
| FDA SRS | 5F2BK3NSLK |
| PubChem | 5361091 |
| ChemSpider | 4514666.0 |
CONTENTS
