| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U890TJ10YM |
| EPA CompTox | DTXSID6060840 |
| InChI Key | XTIGGAHUZJWQMD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C3H7Cl1O1 |
| Molecular Weight | 94.02 |
| AlogP | 0.87 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 5.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 627-42-9 |
| NORMAN SUSDAT | |
| FDA SRS | U890TJ10YM |
| PubChem | 12316 |
| ChemSpider | 11812.0 |