N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C15H10N2O2BrCl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C15H10N2O2BrCl2F |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C15H10BrCl2FN2O2/c16-10-1-3-13(19)9(5-10)7-20-21-15(22)8-23-14-4-2-11(17)6-12(14)18/h1-7H,8H2,(H,21,22) |
| InChIK | QTVYRJNPPQPFKF-UHFFFAOYSA-N |
| TotalMolweight | 420.064 |
| Molweight | 420.064 |
| MonoisotopicMass | 417.928671 |
| CLogP | 4.8145 |
| CLogS | -6.121 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.57 |
| Relative PSA | 0.1726 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.0978 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off