N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]pentanediamide
Formula:C19H18N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]pentanediamide |
| MolecularFormula | C19H18N4O2Cl2 |
| Smiles | O=C(CCCC(N/N=C\c(cc1)ccc1Cl)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H18Cl2N4O2/c20-16-8-4-14(5-9-16)12-22-24-18(26)2-1-3-19(27)25-23-13-15-6-10-17(21)11-7-15/h4-13H,1-3H2,(H,24,26)(H,25,27) |
| InChIK | VHFJBCKFUNLZLE-UHFFFAOYSA-N |
| TotalMolweight | 405.284 |
| Molweight | 405.284 |
| MonoisotopicMass | 404.08068 |
| CLogP | 5.1136 |
| CLogS | -6.4 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 313.08 |
| Relative PSA | 0.23004 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -1.223 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]pentanediamide | 2 - N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]pentanediamide
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