| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 25HXL8A3SJ |
| EPA CompTox | DTXSID90925758 |
Structure
| InChI Key | QVRFSYRSSMDRPS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14N2O2 |
| Molecular Weight | 194.11 |
| AlogP | 1.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 54.98 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 127-67-3 |
| NORMAN SUSDAT | |
| FDA SRS | 25HXL8A3SJ |
| PubChem | 117405 |
CONTENTS
