[2,4-dibromo-6-[(Z)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H15N2O3Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H15N2O3Br2Cl |
| Smiles | O=C(Cc(cc1)ccc1Cl)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H15Br2ClN2O3/c23-17-11-16(13-26-27-20(28)10-14-6-8-18(25)9-7-14)21(19(24)12-17)30-22(29)15-4-2-1-3-5-15/h1-9,11-13H,10H2,(H,27,28) |
| InChIK | DRTNAHWUJXBTGP-UHFFFAOYSA-N |
| TotalMolweight | 550.633 |
| Molweight | 550.633 |
| MonoisotopicMass | 547.913792 |
| CLogP | 6.6866 |
| CLogS | -7.56 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 340.94 |
| Relative PSA | 0.1732 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.2898 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [2,4-dibromo-6-[(Z)-[[2-(4-chlorophenyl)acetyl]hydrazinylidene]methyl]phenyl] benzoate
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