| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 44MR81YQ9R |
Structure
| InChI Key | PHMRLCQEIQGCHH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H28N2O5S1 |
| Molecular Weight | 420.17 |
| AlogP | 3.3 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 96.89 |
| Heavy Atoms | 29.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 90055-97-3 |
| NORMAN SUSDAT | |
| FDA SRS | 44MR81YQ9R |
CONTENTS
