| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G2X60K1Y26 |
| EPA CompTox | DTXSID0049315 |
Structure
| InChI Key | NFCPRRWCTNLGSN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H12N2 |
| Molecular Weight | 184.1 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 38.05 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 534-85-0 |
| NORMAN SUSDAT | |
| FDA SRS | G2X60K1Y26 |
| PubChem | 68297 |
| ChemSpider | 61594.0 |
CONTENTS
