N-[6-oxo-6-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]hexyl]benzamide
Formula:C20H18N3O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[6-oxo-6-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]hexyl]benzamide is a drug-like molecule.
| MolName | N-[6-oxo-6-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]hexyl]benzamide |
| MolecularFormula | C20H18N3O2F5 |
| Smiles | O=C(CCCCCNC(c1ccccc1)=O)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C20H18F5N3O2/c21-15-13(16(22)18(24)19(25)17(15)23)11-27-28-14(29)9-5-2-6-10-26-20(30)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,26,30)(H,28,29) |
| InChIK | UZDNBJOWYRTUAS-UHFFFAOYSA-N |
| TotalMolweight | 427.372 |
| Molweight | 427.372 |
| MonoisotopicMass | 427.131917 |
| CLogP | 4.6069 |
| CLogS | -6.138 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 316.75 |
| Relative PSA | 0.19103 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -5.7855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[6-oxo-6-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]hexyl]benzamide | 2 - N-[6-oxo-6-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]hexyl]benzamide
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