2-[3-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
Formula:C23H15N2O2Cl3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
2-[3-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide is not a drug-like molecule.
| MolName | 2-[3-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide |
| MolecularFormula | C23H15N2O2Cl3 |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C\c1cccc(OCC(Nc(cc2)cc(Cl)c2Cl)=O)c1 |
| InChI | InChI=1S/C23H15Cl3N2O2/c24-18-6-4-16(5-7-18)17(13-27)10-15-2-1-3-20(11-15)30-14-23(29)28-19-8-9-21(25)22(26)12-19/h1-12H,14H2,(H,28,29) |
| InChIK | IMBALUFLZMOBFF-UHFFFAOYSA-N |
| TotalMolweight | 457.743 |
| Molweight | 457.743 |
| MonoisotopicMass | 456.019909 |
| CLogP | 5.873 |
| CLogS | -7.129 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 338.43 |
| Relative PSA | 0.14201 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.8977 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide | 2 - 2-[3-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
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