| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QKF2V8L8PC |
| EPA CompTox | DTXSID00201616 |
Structure
| InChI Key | XQVCBOLNTSUFGD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8Cl1N1O1 |
| Molecular Weight | 157.03 |
| AlogP | 1.93 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.25 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5345-54-0 |
| NORMAN SUSDAT | |
| FDA SRS | QKF2V8L8PC |
| PubChem | 21441 |
| ChemSpider | 20151.0 |
CONTENTS
