| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3I3H31VAS6 |
Structure
| InChI Key | YYPCUGJKDYEIHT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10Cl1N3S1 |
| Molecular Weight | 227.03 |
| AlogP | 2.41 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 53.11 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 100417-09-2 |
| NORMAN SUSDAT | |
| FDA SRS | 3I3H31VAS6 |
CONTENTS
