N'-[(Z)-(2-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
Formula:C15H10N3O2BrCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N'-[(Z)-(2-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide |
| MolecularFormula | C15H10N3O2BrCl2 |
| Smiles | O=C(C(N/N=C\c(cccc1)c1Br)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C15H10BrCl2N3O2/c16-11-4-2-1-3-9(11)8-19-21-15(23)14(22)20-13-7-10(17)5-6-12(13)18/h1-8H,(H,20,22)(H,21,23) |
| InChIK | SWXDARYWEMUSKJ-UHFFFAOYSA-N |
| TotalMolweight | 415.073 |
| Molweight | 415.073 |
| MonoisotopicMass | 412.933342 |
| CLogP | 4.0811 |
| CLogS | -5.831 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 265.67 |
| Relative PSA | 0.22776 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.97 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-(2-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide | 2 - N'-[(Z)-(2-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off