N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C15H10N3O4Br3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C15H10N3O4Br3 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(COc(c(Br)cc(Br)c2)c2Br)=O)c1)=O |
| InChI | InChI=1S/C15H10Br3N3O4/c16-10-5-12(17)15(13(18)6-10)25-8-14(22)20-19-7-9-2-1-3-11(4-9)21(23)24/h1-7H,8H2,(H,20,22) |
| InChIK | HPDHPHLKPQFHLS-UHFFFAOYSA-N |
| TotalMolweight | 535.973 |
| Molweight | 535.973 |
| MonoisotopicMass | 532.82214 |
| CLogP | 4.0305 |
| CLogS | -6.463 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.31 |
| Relative PSA | 0.26327 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.7224 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off