(Z)-2-(2,4-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enenitrile
Formula:C19H9NOCl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-2-(2,4-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-(2,4-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enenitrile |
| MolecularFormula | C19H9NOCl4 |
| Smiles | N#C/C(/c(ccc(Cl)c1)c1Cl)=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1 |
| InChI | InChI=1S/C19H9Cl4NO/c20-12-4-6-14(17(23)9-12)11(10-24)8-13-5-7-18(25-13)19-15(21)2-1-3-16(19)22/h1-9H |
| InChIK | JINNWARUAYRBBD-UHFFFAOYSA-N |
| TotalMolweight | 409.098 |
| Molweight | 409.098 |
| MonoisotopicMass | 406.943822 |
| CLogP | 6.6955 |
| CLogS | -8.033 |
| H Acceptors | 2 |
| TotalSurfaceArea | 290.57 |
| Relative PSA | 0.095227 |
| PolarSurfaceArea | 36.93 |
| Druglikeness | -3.4929 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (Z)-2-(2,4-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enenitrile | 2 - (Z)-2-(2,4-dichlorophenyl)-3-[5-(2,6-dichlorophenyl)furan-2-yl]prop-2-enenitrile
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