| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KLQ2UIW7HT |
| EPA CompTox | DTXSID8042470 |
Structure
| InChI Key | IRVDMKJLOCGUBJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13N2O3P1S1 |
| Molecular Weight | 248.04 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 53.47 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 297-97-2 |
| NORMAN SUSDAT | |
| FDA SRS | KLQ2UIW7HT |
| PubChem | 9272 |
| ChemSpider | 8915.0 |
CONTENTS
