2-[[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
Formula:C21H12N3OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile is not a drug-like molecule.
| MolName | 2-[[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile |
| MolecularFormula | C21H12N3OF5 |
| Smiles | N#Cc1c(COc2ccc(/C=N\Nc(c(F)c(c(F)c3F)F)c3F)cc2)cccc1 |
| InChI | InChI=1S/C21H12F5N3O/c22-16-17(23)19(25)21(20(26)18(16)24)29-28-10-12-5-7-15(8-6-12)30-11-14-4-2-1-3-13(14)9-27/h1-8,10,29H,11H2 |
| InChIK | MEAFGJZTMOQANZ-UHFFFAOYSA-N |
| TotalMolweight | 417.336 |
| Molweight | 417.336 |
| MonoisotopicMass | 417.090052 |
| CLogP | 6.5286 |
| CLogS | -6.833 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.22 |
| Relative PSA | 0.15195 |
| PolarSurfaceArea | 57.41 |
| Druglikeness | -3.9912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2-[[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[4-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
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