| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M3A5WD54AW |
| EPA CompTox | DTXSID90143733 |
Structure
| InChI Key | UORNTHBBLYBAJJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14N2O1 |
| Molecular Weight | 178.11 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.5 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1011-17-2 |
| NORMAN SUSDAT | |
| FDA SRS | M3A5WD54AW |
| PubChem | 70530 |
| ChemSpider | 63701.0 |
CONTENTS
