| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VD7QK30B69 |
Structure
| InChI Key | BBQDLDVSEDAYAA-AATRIKPKSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8NO4 |
| Molecular Weight | 193.04 |
| AlogP | 1.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 80.44 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 612-41-9 |
| NORMAN SUSDAT | |
| FDA SRS | VD7QK30B69 |
| PubChem | 735923 |
CONTENTS
