(Z)-3-(4-phenylphenyl)-2-pyridin-2-ylprop-2-enenitrile
Formula:C20H14N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-phenylphenyl)-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(4-phenylphenyl)-2-pyridin-2-ylprop-2-enenitrile |
| MolecularFormula | C20H14N2 |
| Smiles | N#C/C(/c1ncccc1)=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C20H14N2/c21-15-19(20-8-4-5-13-22-20)14-16-9-11-18(12-10-16)17-6-2-1-3-7-17/h1-14H |
| InChIK | IYBJIBFYXUISJO-UHFFFAOYSA-N |
| TotalMolweight | 282.345 |
| Molweight | 282.345 |
| MonoisotopicMass | 282.115698 |
| CLogP | 4.0449 |
| CLogS | -4.944 |
| H Acceptors | 2 |
| TotalSurfaceArea | 237.96 |
| Relative PSA | 0.10308 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -5.0798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| 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 | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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