N,N'-bis[(Z)-(3,5-dibromophenyl)methylideneamino]pentanediamide
Formula:C19H16N4O2Br4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-(3,5-dibromophenyl)methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N,N'-bis[(Z)-(3,5-dibromophenyl)methylideneamino]pentanediamide |
| MolecularFormula | C19H16N4O2Br4 |
| Smiles | O=C(CCCC(N/N=C\c1cc(Br)cc(Br)c1)=O)N/N=C\c1cc(Br)cc(Br)c1 |
| InChI | InChI=1S/C19H16Br4N4O2/c20-14-4-12(5-15(21)8-14)10-24-26-18(28)2-1-3-19(29)27-25-11-13-6-16(22)9-17(23)7-13/h4-11H,1-3H2,(H,26,28)(H,27,29) |
| InChIK | NWXONASPZVESSY-UHFFFAOYSA-N |
| TotalMolweight | 651.978 |
| Molweight | 651.978 |
| MonoisotopicMass | 647.80067 |
| CLogP | 6.8024 |
| CLogS | -8.264 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 356.76 |
| Relative PSA | 0.20187 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -3.0395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 17 |
| StereoCon |
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1 - N,N'-bis[(Z)-(3,5-dibromophenyl)methylideneamino]pentanediamide | 2 - N,N'-bis[(Z)-(3,5-dibromophenyl)methylideneamino]pentanediamide
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