| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LDM886MY3T |
| EPA CompTox | DTXSID60209976 |
Structure
| InChI Key | JHKKTXXMAQLGJB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1O1 |
| Molecular Weight | 123.07 |
| AlogP | 1.43 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 32.26 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 611-24-5 |
| NORMAN SUSDAT | |
| FDA SRS | LDM886MY3T |
| PubChem | 69138 |
| ChemSpider | 62354.0 |
CONTENTS
