2-(2,4-dibromoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C15H12N4O3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(2,4-dibromoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,4-dibromoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N4O3Br2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNc(ccc(Br)c2)c2Br)=O)cc1)=O |
| InChI | InChI=1S/C15H12Br2N4O3/c16-11-3-6-14(13(17)7-11)18-9-15(22)20-19-8-10-1-4-12(5-2-10)21(23)24/h1-8,18H,9H2,(H,20,22) |
| InChIK | QSJFGZOSXIUCKL-UHFFFAOYSA-N |
| TotalMolweight | 456.093 |
| Molweight | 456.093 |
| MonoisotopicMass | 453.927613 |
| CLogP | 3.0223 |
| CLogS | -5.671 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 273.14 |
| Relative PSA | 0.28517 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -1.9192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(2,4-dibromoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(2,4-dibromoanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off