| MolName | (Z)-2-[4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]phenyl]-3-(2,4-dichlorophenyl)prop-2-enenitrile |
| MolecularFormula | C24H12N2Cl4 |
| Smiles | N#C/C(/c(cc1)ccc1/C(/C#N)=C/c(ccc(Cl)c1)c1Cl)=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C24H12Cl4N2/c25-21-7-5-17(23(27)11-21)9-19(13-29)15-1-2-16(4-3-15)20(14-30)10-18-6-8-22(26)12-24(18)28/h1-12H |
| InChIK | QINAUYGCCOGPBI-UHFFFAOYSA-N |
| TotalMolweight | 470.185 |
| Molweight | 470.185 |
| MonoisotopicMass | 467.975456 |
| CLogP | 7.4296 |
| CLogS | -8.586 |
| H Acceptors | 2 |
| TotalSurfaceArea | 347.3 |
| Relative PSA | 0.078088 |
| PolarSurfaceArea | 47.58 |
| Druglikeness | -4.9679 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - (Z)-2-[4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]phenyl]-3-(2,4-dichlorophenyl)prop-2-enenitrile | 2 - (Z)-2-[4-[(Z)-1-cyano-2-(2,4-dichlorophenyl)ethenyl]phenyl]-3-(2,4-dichlorophenyl)prop-2-enenitrile