| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GP8E41EOQO |
| EPA CompTox | DTXSID7058171 |
Structure
| InChI Key | BZRUVKZGXNSXMB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16Cl1N5 |
| Molecular Weight | 229.11 |
| AlogP | 1.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.19 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7286-69-3 |
| NORMAN SUSDAT | |
| FDA SRS | GP8E41EOQO |
| PubChem | 23712 |
| ChemSpider | 22172.0 |
CONTENTS
