[3-benzoyloxy-4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C28H26N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C28H26N2O5 |
| Smiles | O=C(C1CCCCC1)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C28H26N2O5/c31-26(20-10-4-1-5-11-20)30-29-19-23-16-17-24(34-27(32)21-12-6-2-7-13-21)18-25(23)35-28(33)22-14-8-3-9-15-22/h2-3,6-9,12-20H,1,4-5,10-11H2,(H,30,31) |
| InChIK | XAYJGYQSESVDPE-UHFFFAOYSA-N |
| TotalMolweight | 470.523 |
| Molweight | 470.523 |
| MonoisotopicMass | 470.184173 |
| CLogP | 5.9629 |
| CLogS | -6.817 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 370.05 |
| Relative PSA | 0.22183 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | -0.14563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| StereoCon |
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