| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 14PEC3LEVH |
| EPA CompTox | DTXSID00169742 |
Structure
| InChI Key | NCZXKYCNHGRFHE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C27H20N4O1 |
| Molecular Weight | 416.16 |
| AlogP | 4.5 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 71.79 |
| Heavy Atoms | 32.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1740-22-3 |
| NORMAN SUSDAT | |
| FDA SRS | 14PEC3LEVH |
| PubChem | 3052765 |
| ChemSpider | 2314542.0 |
CONTENTS
