| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EM9AN7FWH5 |
| EPA CompTox | DTXSID70878697 |
Structure
| InChI Key | LIJLYNWYKULUHA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H6ClNO2 |
| Molecular Weight | 123.01 |
| AlogP | 0.73 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 53.31 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2114-18-3 |
| NORMAN SUSDAT | |
| FDA SRS | EM9AN7FWH5 |
| PubChem | 16456 |
CONTENTS
