| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 64RY7CMP5Y |
| EPA CompTox | DTXSID90986460 |
Structure
| InChI Key | AOOLFYMBFIGYDE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6Cl1N1O2 |
| Molecular Weight | 135.01 |
| AlogP | 0.72 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 61.15 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67271-66-3 |
| NORMAN SUSDAT | |
| FDA SRS | 64RY7CMP5Y |
CONTENTS
