N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
Formula:C15H11N2O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide |
| MolecularFormula | C15H11N2O2BrCl2 |
| Smiles | O=C(COc(cccc1Cl)c1Cl)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C15H11BrCl2N2O2/c16-11-5-2-1-4-10(11)8-19-20-14(21)9-22-13-7-3-6-12(17)15(13)18/h1-8H,9H2,(H,20,21) |
| InChIK | XILISIIMEIHBAP-UHFFFAOYSA-N |
| TotalMolweight | 402.074 |
| Molweight | 402.074 |
| MonoisotopicMass | 399.938093 |
| CLogP | 4.7137 |
| CLogS | -5.807 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.22 |
| Relative PSA | 0.17681 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-(2-bromophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off