| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UR9VPI71PT |
| EPA CompTox | DTXSID4046440 |
Structure
| InChI Key | KINWYTAUPKOPCQ-YFKPBYRVSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H13N1O3S1 |
| Molecular Weight | 179.06 |
| AlogP | -0.49 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 83.55 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13189-98-5 |
| NORMAN SUSDAT | |
| FDA SRS | UR9VPI71PT |
CONTENTS
