| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X50ZS5010Z |
| EPA CompTox | DTXSID1042368 |
Structure
| InChI Key | OYFLKNAULOKYRI-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H16N1O2P1S1 |
| Molecular Weight | 329.06 |
| AlogP | 4.29 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 31.35 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1776-83-6 |
| NORMAN SUSDAT | |
| FDA SRS | X50ZS5010Z |
| ChemSpider | 65055.0 |
CONTENTS
