2-[3-[(Z)-2-cyano-2-phenylethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
Formula:C23H16N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[3-[(Z)-2-cyano-2-phenylethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide is not a drug-like molecule.
| MolName | 2-[3-[(Z)-2-cyano-2-phenylethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide |
| MolecularFormula | C23H16N2O2Cl2 |
| Smiles | N#C/C(/c1ccccc1)=C\c1cccc(OCC(Nc(cc2)cc(Cl)c2Cl)=O)c1 |
| InChI | InChI=1S/C23H16Cl2N2O2/c24-21-10-9-19(13-22(21)25)27-23(28)15-29-20-8-4-5-16(12-20)11-18(14-26)17-6-2-1-3-7-17/h1-13H,15H2,(H,27,28) |
| InChIK | PRKJMDKMNXJHBT-UHFFFAOYSA-N |
| TotalMolweight | 423.298 |
| Molweight | 423.298 |
| MonoisotopicMass | 422.058882 |
| CLogP | 5.267 |
| CLogS | -6.393 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 323.01 |
| Relative PSA | 0.14879 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.8977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-cyano-2-phenylethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide | 2 - 2-[3-[(Z)-2-cyano-2-phenylethenyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
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