(Z)-2-(4-chlorophenyl)-3-phenyl-3-pyridin-3-ylprop-2-enenitrile
Formula:C20H13N2Cl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-2-(4-chlorophenyl)-3-phenyl-3-pyridin-3-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(4-chlorophenyl)-3-phenyl-3-pyridin-3-ylprop-2-enenitrile |
| MolecularFormula | C20H13N2Cl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C(/c1ccccc1)\c1cnccc1 |
| InChI | InChI=1S/C20H13ClN2/c21-18-10-8-15(9-11-18)19(13-22)20(16-5-2-1-3-6-16)17-7-4-12-23-14-17/h1-12,14H |
| InChIK | HOYIIYRLXQZDMF-UHFFFAOYSA-N |
| TotalMolweight | 316.79 |
| Molweight | 316.79 |
| MonoisotopicMass | 316.076725 |
| CLogP | 3.4864 |
| CLogS | -4.775 |
| H Acceptors | 2 |
| TotalSurfaceArea | 251.59 |
| Relative PSA | 0.0975 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -5.3542 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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