N-[(Z)-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C22H14N2O2Cl3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C22H14N2O2Cl3F3 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(cc1Cl)cc(Cl)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C22H14Cl3F3N2O2/c23-17-7-2-1-4-15(17)12-32-20-18(24)8-13(9-19(20)25)11-29-30-21(31)14-5-3-6-16(10-14)22(26,27)28/h1-11H,12H2,(H,30,31) |
| InChIK | NTUIQTYQRZRBGU-UHFFFAOYSA-N |
| TotalMolweight | 501.718 |
| Molweight | 501.718 |
| MonoisotopicMass | 500.007293 |
| CLogP | 7.216 |
| CLogS | -8.048 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 346.23 |
| Relative PSA | 0.13289 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.1386 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
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