N-[(Z)-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C22H14N3O4Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C22H14N3O4Cl2F3 |
| Smiles | [O-][N+](c1ccc(COc(c(Cl)cc(/C=N\NC(c2cc(C(F)(F)F)ccc2)=O)c2)c2Cl)cc1)=O |
| InChI | InChI=1S/C22H14Cl2F3N3O4/c23-18-8-14(11-28-29-21(31)15-2-1-3-16(10-15)22(25,26)27)9-19(24)20(18)34-12-13-4-6-17(7-5-13)30(32)33/h1-11H,12H2,(H,29,31) |
| InChIK | COYWPOABQNEBOF-UHFFFAOYSA-N |
| TotalMolweight | 512.27 |
| Molweight | 512.27 |
| MonoisotopicMass | 511.031345 |
| CLogP | 5.6884 |
| CLogS | -7.772 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 354.48 |
| Relative PSA | 0.21561 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -8.2622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
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