| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MM863RY4P7 |
| EPA CompTox | DTXSID60234400 |
Structure
| InChI Key | GDAOLYAEFUYWDM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H21N3O2 |
| Molecular Weight | 239.16 |
| AlogP | -0.18 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.65 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85204-23-5 |
| NORMAN SUSDAT | |
| FDA SRS | MM863RY4P7 |
| PubChem | 44152199 |
| ChemSpider | 21164777.0 |
CONTENTS
