| MolName | [4-[(Z)-[[4-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C32H26N4O6 |
| Smiles | O=C(CCC(N/N=C\c(cc1)ccc1OC(c1ccccc1)=O)=O)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C32H26N4O6/c37-29(35-33-21-23-11-15-27(16-12-23)41-31(39)25-7-3-1-4-8-25)19-20-30(38)36-34-22-24-13-17-28(18-14-24)42-32(40)26-9-5-2-6-10-26/h1-18,21-22H,19-20H2,(H,35,37)(H,36,38) |
| InChIK | IHZDJPJXAYCYFY-UHFFFAOYSA-N |
| TotalMolweight | 562.58 |
| Molweight | 562.58 |
| MonoisotopicMass | 562.185236 |
| CLogP | 6.3082 |
| CLogS | -7.598 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 443.5 |
| Relative PSA | 0.26629 |
| PolarSurfaceArea | 135.52 |
| Druglikeness | 2.7767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 13 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 25 |
| StereoCon |
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1 - [4-[(Z)-[[4-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[4-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]phenyl] benzoate