N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
Formula:C17H14N2O2Cl3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide |
| MolecularFormula | C17H14N2O2Cl3F |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C17H14Cl3FN2O2/c18-11-6-7-16(14(20)9-11)25-8-2-5-17(24)23-22-10-12-13(19)3-1-4-15(12)21/h1,3-4,6-7,9-10H,2,5,8H2,(H,23,24) |
| InChIK | GYBZQHLFFQTGLG-UHFFFAOYSA-N |
| TotalMolweight | 403.667 |
| Molweight | 403.667 |
| MonoisotopicMass | 402.010487 |
| CLogP | 5.6041 |
| CLogS | -6.563 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.88 |
| Relative PSA | 0.15818 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -1.2509 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off