1-[(Z)-benzylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Formula:C20H12N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-benzylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is a drug-like molecule.
| MolName | 1-[(Z)-benzylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile |
| MolecularFormula | C20H12N3OF3 |
| Smiles | N#CC(C1=O)=C(C(F)(F)F)C=C(c2ccccc2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C20H12F3N3O/c21-20(22,23)17-11-18(15-9-5-2-6-10-15)26(19(27)16(17)12-24)25-13-14-7-3-1-4-8-14/h1-11,13H |
| InChIK | RWRNMFGCWDNYMC-UHFFFAOYSA-N |
| TotalMolweight | 367.329 |
| Molweight | 367.329 |
| MonoisotopicMass | 367.093246 |
| CLogP | 4.1204 |
| CLogS | -4.92 |
| H Acceptors | 4 |
| TotalSurfaceArea | 271.13 |
| Relative PSA | 0.15365 |
| PolarSurfaceArea | 56.46 |
| Druglikeness | -6.5995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-benzylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile | 2 - 1-[(Z)-benzylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off