| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U467SL0X4P |
| EPA CompTox | DTXSID8027294 |
Structure
| InChI Key | CBRSBDUOPJQVMP-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12N2O1 |
| Molecular Weight | 116.09 |
| AlogP | 0.87 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 56.11 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 689-11-2 |
| NORMAN SUSDAT | |
| FDA SRS | U467SL0X4P |
| ChemSpider | 12192.0 |
CONTENTS
