| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J8TAP6NFD4 |
| EPA CompTox | DTXSID0073247 |
Structure
| InChI Key | MAXBVGJEFDMHNV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H5Cl1N2 |
| Molecular Weight | 128.01 |
| AlogP | 1.15 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 39.64 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1072-98-6 |
| NORMAN SUSDAT | |
| FDA SRS | J8TAP6NFD4 |
| PubChem | 66174 |
| ChemSpider | 59561.0 |
CONTENTS
