| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KT2EEE69EE |
| EPA CompTox | DTXSID10233367 |
Structure
| InChI Key | UIFFSBYMUXSQNX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H13N1O2 |
| Molecular Weight | 143.09 |
| AlogP | -0.36 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 40.54 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84394-97-8 |
| NORMAN SUSDAT | |
| FDA SRS | KT2EEE69EE |
| PubChem | 15006446 |
| ChemSpider | 15430024.0 |
CONTENTS
