[2,4-dibromo-6-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
Formula:C23H16N2O5Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate |
| MolecularFormula | C23H16N2O5Br2 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c1cc(Br)cc(Br)c1OC(c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C23H16Br2N2O5/c24-17-9-16(12-26-27-21(28)8-14-4-2-1-3-5-14)22(18(25)11-17)32-23(29)15-6-7-19-20(10-15)31-13-30-19/h1-7,9-12H,8,13H2,(H,27,28) |
| InChIK | FFUHQXQARIJWMY-UHFFFAOYSA-N |
| TotalMolweight | 560.197 |
| Molweight | 560.197 |
| MonoisotopicMass | 557.942595 |
| CLogP | 6.192 |
| CLogS | -7.535 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 345.78 |
| Relative PSA | 0.22861 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 2.2063 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [2,4-dibromo-6-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
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