| MolName | N,N'-bis[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]nonanediamide |
| MolecularFormula | C39H40N4O2 |
| Smiles | O=C(CCCCCCCC(N/N=C(\C=C\c1ccccc1)/c1ccccc1)=O)N/N=C(\C=C\c1ccccc1)/c1ccccc1 |
| InChI | InChI=1S/C39H40N4O2/c44-38(42-40-36(34-22-12-6-13-23-34)30-28-32-18-8-4-9-19-32)26-16-2-1-3-17-27-39(45)43-41-37(35-24-14-7-15-25-35)31-29-33-20-10-5-11-21-33/h4-15,18-25,28-31H,1-3,16-17,26-27H2,(H,42,44)(H,43,45) |
| InChIK | DFFZVOLNHOLTLS-UHFFFAOYSA-N |
| TotalMolweight | 596.773 |
| Molweight | 596.773 |
| MonoisotopicMass | 596.315126 |
| CLogP | 9.141 |
| CLogS | -9.808 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 506.22 |
| Relative PSA | 0.14227 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | -5.0914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 45 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 16 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 26 |
| StereoCon |
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1 - N,N'-bis[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]nonanediamide | 2 - N,N'-bis[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]nonanediamide