[2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C21H12N2O3Br2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C21H12N2O3Br2Cl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C21H12Br2Cl2N2O3/c22-14-8-13(11-26-27-20(28)16-7-6-15(24)10-18(16)25)19(17(23)9-14)30-21(29)12-4-2-1-3-5-12/h1-11H,(H,27,28) |
| InChIK | XMGYJOYJJWWHIB-UHFFFAOYSA-N |
| TotalMolweight | 571.051 |
| Molweight | 571.051 |
| MonoisotopicMass | 567.859169 |
| CLogP | 7.2945 |
| CLogS | -8.331 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 342.6 |
| Relative PSA | 0.17236 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2516 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [2,4-dibromo-6-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
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