(E)-2,3-diphenyl-3-pyridin-4-ylprop-2-enenitrile
Formula:C20H14N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2,3-diphenyl-3-pyridin-4-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2,3-diphenyl-3-pyridin-4-ylprop-2-enenitrile |
| MolecularFormula | C20H14N2 |
| Smiles | N#C/C(/c1ccccc1)=C(\c1ccccc1)/c1ccncc1 |
| InChI | InChI=1S/C20H14N2/c21-15-19(16-7-3-1-4-8-16)20(17-9-5-2-6-10-17)18-11-13-22-14-12-18/h1-14H |
| InChIK | VEXDGYQDCZCINO-UHFFFAOYSA-N |
| TotalMolweight | 282.345 |
| Molweight | 282.345 |
| MonoisotopicMass | 282.115698 |
| CLogP | 2.8804 |
| CLogS | -4.039 |
| H Acceptors | 2 |
| TotalSurfaceArea | 236.17 |
| Relative PSA | 0.10387 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -5.481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2,3-diphenyl-3-pyridin-4-ylprop-2-enenitrile | 2 - (E)-2,3-diphenyl-3-pyridin-4-ylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off