1-N,4-N-bis[(Z)-(4-chlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
Formula:C22H16N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-N,4-N-bis[(Z)-(4-chlorophenyl)methylideneamino]benzene-1,4-dicarboxamide is not a drug-like molecule.
| MolName | 1-N,4-N-bis[(Z)-(4-chlorophenyl)methylideneamino]benzene-1,4-dicarboxamide |
| MolecularFormula | C22H16N4O2Cl2 |
| Smiles | O=C(c(cc1)ccc1C(N/N=C\c(cc1)ccc1Cl)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H16Cl2N4O2/c23-19-9-1-15(2-10-19)13-25-27-21(29)17-5-7-18(8-6-17)22(30)28-26-14-16-3-11-20(24)12-4-16/h1-14H,(H,27,29)(H,28,30) |
| InChIK | JXIKMFDYIOCZOZ-UHFFFAOYSA-N |
| TotalMolweight | 439.301 |
| Molweight | 439.301 |
| MonoisotopicMass | 438.06503 |
| CLogP | 5.9556 |
| CLogS | -7.298 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 331.56 |
| Relative PSA | 0.21722 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 18 |
| StereoCon |
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1 - 1-N,4-N-bis[(Z)-(4-chlorophenyl)methylideneamino]benzene-1,4-dicarboxamide | 2 - 1-N,4-N-bis[(Z)-(4-chlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
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