| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E4AD858WL7 |
| EPA CompTox | DTXSID8074522 |
Structure
| InChI Key | QBSRKOBMKFOHOS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.09 |
| AlogP | 3.21 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 55.17 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14309-92-3 |
| NORMAN SUSDAT | |
| FDA SRS | E4AD858WL7 |
| PubChem | 84342 |
| ChemSpider | 76084.0 |
CONTENTS
