| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TIR1123P86 |
| EPA CompTox | DTXSID601340394 |
Structure
| InChI Key | VIVCRCODGMFTFY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O7 |
| Molecular Weight | 208.06 |
| AlogP | -3.65 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 127.45 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3063-04-5 |
| NORMAN SUSDAT | |
| FDA SRS | TIR1123P86 |
| PubChem | 78942 |
CONTENTS
