| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IB2671N3UT |
| EPA CompTox | DTXSID10862297 |
Structure
| InChI Key | WVRPFQGZHKZCEB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 617-50-5 |
| NORMAN SUSDAT | |
| FDA SRS | IB2671N3UT |
| PubChem | 12044 |
CONTENTS
