N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C20H13N2O2Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C20H13N2O2Cl2F3 |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1 |
| InChI | InChI=1S/C20H13Cl2F3N2O2/c21-14-4-6-17(22)16(10-14)18-7-5-15(29-18)11-26-27-19(28)9-12-2-1-3-13(8-12)20(23,24)25/h1-8,10-11H,9H2,(H,27,28) |
| InChIK | ORJQKGRYLZFVKY-UHFFFAOYSA-N |
| TotalMolweight | 441.235 |
| Molweight | 441.235 |
| MonoisotopicMass | 440.030616 |
| CLogP | 6.1989 |
| CLogS | -7.396 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.5 |
| Relative PSA | 0.16142 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.70259 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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