[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(4-bromobenzoyl)oxyphenyl] 4-bromobenzoate
Formula:C28H18N2O5Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(4-bromobenzoyl)oxyphenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(4-bromobenzoyl)oxyphenyl] 4-bromobenzoate |
| MolecularFormula | C28H18N2O5Br2 |
| Smiles | O=C(c1ccccc1)N/N=C\c(cc1)cc(OC(c(cc2)ccc2Br)=O)c1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C28H18Br2N2O5/c29-22-11-7-20(8-12-22)27(34)36-24-15-6-18(17-31-32-26(33)19-4-2-1-3-5-19)16-25(24)37-28(35)21-9-13-23(30)14-10-21/h1-17H,(H,32,33) |
| InChIK | XCUWICDOGMGOGQ-UHFFFAOYSA-N |
| TotalMolweight | 622.268 |
| Molweight | 622.268 |
| MonoisotopicMass | 619.958245 |
| CLogP | 7.513 |
| CLogS | -8.329 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 399.27 |
| Relative PSA | 0.2056 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 2.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(4-bromobenzoyl)oxyphenyl] 4-bromobenzoate | 2 - [4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(4-bromobenzoyl)oxyphenyl] 4-bromobenzoate
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