| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZPH2R3QIQZ |
Structure
| InChI Key | NPYQHCFKDKPILU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13N3O3S1 |
| Molecular Weight | 231.07 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 74.49 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40085-57-2 |
| NORMAN SUSDAT | |
| FDA SRS | ZPH2R3QIQZ |
CONTENTS
