| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D42T32747Z |
Structure
| InChI Key | MSFSPUZXLOGKHJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H17N1O7 |
| Molecular Weight | 251.1 |
| AlogP | -2.76 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 142.47 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1114-41-6 |
| NORMAN SUSDAT | |
| FDA SRS | D42T32747Z |
| PubChem | 433580 |
| ChemSpider | 7992151.0 |
CONTENTS
