N,N'-bis(2,4-dichlorophenyl)-2-[(Z)-(2,4-dichlorophenyl)methoxyiminomethyl]propanediamide
Formula:C23H15N3O3Cl6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis(2,4-dichlorophenyl)-2-[(Z)-(2,4-dichlorophenyl)methoxyiminomethyl]propanediamide is not a drug-like molecule.
| MolName | N,N'-bis(2,4-dichlorophenyl)-2-[(Z)-(2,4-dichlorophenyl)methoxyiminomethyl]propanediamide |
| MolecularFormula | C23H15N3O3Cl6 |
| Smiles | O=C(C(/C=N\OCc(ccc(Cl)c1)c1Cl)C(Nc(ccc(Cl)c1)c1Cl)=O)Nc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H15Cl6N3O3/c24-13-2-1-12(17(27)7-13)11-35-30-10-16(22(33)31-20-5-3-14(25)8-18(20)28)23(34)32-21-6-4-15(26)9-19(21)29/h1-10,16H,11H2,(H,31,33)(H,32,34) |
| InChIK | CJROYKWMGIWWQW-UHFFFAOYSA-N |
| TotalMolweight | 594.108 |
| Molweight | 594.108 |
| MonoisotopicMass | 590.924454 |
| CLogP | 7.1619 |
| CLogS | -9.188 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 404.74 |
| Relative PSA | 0.17421 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.4303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 11 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N,N'-bis(2,4-dichlorophenyl)-2-[(Z)-(2,4-dichlorophenyl)methoxyiminomethyl]propanediamide | 2 - N,N'-bis(2,4-dichlorophenyl)-2-[(Z)-(2,4-dichlorophenyl)methoxyiminomethyl]propanediamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off