4-cyano-N-[(Z)-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
Formula:C22H12N3O2Cl4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyano-N-[(Z)-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide is not a drug-like molecule.
| MolName | 4-cyano-N-[(Z)-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide |
| MolecularFormula | C22H12N3O2Cl4F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cc1Cl)cc(Cl)c1OCc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C22H12Cl4FN3O2/c23-15-3-2-14(17(24)8-15)11-32-21-18(25)5-13(6-19(21)26)10-29-30-22(31)16-4-1-12(9-28)7-20(16)27/h1-8,10H,11H2,(H,30,31) |
| InChIK | FNZSEEGUXQIXIR-UHFFFAOYSA-N |
| TotalMolweight | 511.166 |
| Molweight | 511.166 |
| MonoisotopicMass | 508.966763 |
| CLogP | 6.9101 |
| CLogS | -9.093 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 360.25 |
| Relative PSA | 0.16536 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.5686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 4-cyano-N-[(Z)-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide | 2 - 4-cyano-N-[(Z)-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
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