| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6NEB4EP7TP |
Structure
| InChI Key | KCCPBJDUXBCOSN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H18O3 |
| Molecular Weight | 162.13 |
| AlogP | 0.81 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 38.69 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13021-53-9 |
| NORMAN SUSDAT | |
| FDA SRS | 6NEB4EP7TP |
CONTENTS
