[4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H17N2O4BrCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H17N2O4BrCl2 |
| Smiles | O=C(COc(cccc1Cl)c1Cl)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C24H17BrCl2N2O4/c25-18-10-11-20(33-23(31)12-9-16-5-2-1-3-6-16)17(13-18)14-28-29-22(30)15-32-21-8-4-7-19(26)24(21)27/h1-14H,15H2,(H,29,30) |
| InChIK | FLLIDNJZQHOPQD-UHFFFAOYSA-N |
| TotalMolweight | 548.219 |
| Molweight | 548.219 |
| MonoisotopicMass | 545.974873 |
| CLogP | 6.4734 |
| CLogS | -7.647 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 374.23 |
| Relative PSA | 0.18451 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 0.14616 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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