| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M487QF2F4V |
| EPA CompTox | DTXSID40150210 |
Structure
| InChI Key | JKOQGQFVAUAYPM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H15N2O3P1S1 |
| Molecular Weight | 214.05 |
| AlogP | -0.25 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 95.58 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 112901-68-5 |
| NORMAN SUSDAT | |
| FDA SRS | M487QF2F4V |
| PubChem | 29927142 |
| ChemSpider | 2056.0 |
CONTENTS
