N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]propanediamide
Formula:C16H13N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]propanediamide is a drug-like molecule.
| MolName | N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]propanediamide |
| MolecularFormula | C16H13N3O2Cl2 |
| Smiles | O=C(CC(N/N=C\c(cc1)ccc1Cl)=O)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C16H13Cl2N3O2/c17-12-6-4-11(5-7-12)10-19-21-16(23)9-15(22)20-14-3-1-2-13(18)8-14/h1-8,10H,9H2,(H,20,22)(H,21,23) |
| InChIK | BDEYETPJUQXOKV-UHFFFAOYSA-N |
| TotalMolweight | 350.204 |
| Molweight | 350.204 |
| MonoisotopicMass | 349.038481 |
| CLogP | 3.8103 |
| CLogS | -5.267 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.8 |
| Relative PSA | 0.23202 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.0716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]propanediamide | 2 - N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]propanediamide
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