N-(3,4-dichlorophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanediamide
Formula:C16H11N3O2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanediamide is not a drug-like molecule.
| MolName | N-(3,4-dichlorophenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanediamide |
| MolecularFormula | C16H11N3O2Cl4 |
| Smiles | O=C(CC(N/N=C\c(ccc(Cl)c1)c1Cl)=O)Nc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H11Cl4N3O2/c17-10-2-1-9(13(19)5-10)8-21-23-16(25)7-15(24)22-11-3-4-12(18)14(20)6-11/h1-6,8H,7H2,(H,22,24)(H,23,25) |
| InChIK | WUKUNYLVUNVNGC-UHFFFAOYSA-N |
| TotalMolweight | 419.094 |
| Molweight | 419.094 |
| MonoisotopicMass | 416.960535 |
| CLogP | 5.0223 |
| CLogS | -6.739 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.64 |
| Relative PSA | 0.20748 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.0716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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