| MolName | [2-[(Z)-[[8-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C36H34N4O6 |
| Smiles | O=C(CCCCCCC(N/N=C\c(cccc1)c1OC(c1ccccc1)=O)=O)N/N=C\c(cccc1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C36H34N4O6/c41-33(39-37-25-29-19-11-13-21-31(29)45-35(43)27-15-5-3-6-16-27)23-9-1-2-10-24-34(42)40-38-26-30-20-12-14-22-32(30)46-36(44)28-17-7-4-8-18-28/h3-8,11-22,25-26H,1-2,9-10,23-24H2,(H,39,41)(H,40,42) |
| InChIK | ADZNFWFYOGWXCZ-UHFFFAOYSA-N |
| TotalMolweight | 618.688 |
| Molweight | 618.688 |
| MonoisotopicMass | 618.247836 |
| CLogP | 8.1258 |
| CLogS | -8.678 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 498.54 |
| Relative PSA | 0.23689 |
| PolarSurfaceArea | 135.52 |
| Druglikeness | -4.422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 46 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 17 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 25 |
| StereoCon |
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1 - [2-[(Z)-[[8-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [2-[(Z)-[[8-[(2Z)-2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate