| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IQ3Q8N1287 |
Structure
| InChI Key | PQQFNXGONTVQLM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H19N3O2S1 |
| Molecular Weight | 425.12 |
| AlogP | 5.54 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 67.48 |
| Heavy Atoms | 31.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 116289-53-3 |
| NORMAN SUSDAT | |
| FDA SRS | IQ3Q8N1287 |
CONTENTS
