| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N93GGY9WEC |
| EPA CompTox | DTXSID30183830 |
Structure
| InChI Key | NGYYFWGABVVEPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.05 |
| AlogP | 0.59 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 60.69 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29654-55-5 |
| NORMAN SUSDAT | |
| FDA SRS | N93GGY9WEC |
| PubChem | 34661 |
| ChemSpider | 31899.0 |
CONTENTS
