| MolName | (Z)-3-(3-chlorophenyl)-2-[4-[(Z)-2-(3-chlorophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile |
| MolecularFormula | C24H14N2Cl2 |
| Smiles | N#C/C(/c(cc1)ccc1/C(/C#N)=C/c1cccc(Cl)c1)=C\c1cc(Cl)ccc1 |
| InChI | InChI=1S/C24H14Cl2N2/c25-23-5-1-3-17(13-23)11-21(15-27)19-7-9-20(10-8-19)22(16-28)12-18-4-2-6-24(26)14-18/h1-14H |
| InChIK | CBBVMZDXGFKIGS-UHFFFAOYSA-N |
| TotalMolweight | 401.295 |
| Molweight | 401.295 |
| MonoisotopicMass | 400.053402 |
| CLogP | 6.2176 |
| CLogS | -7.114 |
| H Acceptors | 2 |
| TotalSurfaceArea | 316.46 |
| Relative PSA | 0.085698 |
| PolarSurfaceArea | 47.58 |
| Druglikeness | -4.9679 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - (Z)-3-(3-chlorophenyl)-2-[4-[(Z)-2-(3-chlorophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile | 2 - (Z)-3-(3-chlorophenyl)-2-[4-[(Z)-2-(3-chlorophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile