[4-bromo-2-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H16N3O4BrCl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H16N3O4BrCl2 |
| Smiles | O=C(/C=C/c1ccccc1)Oc(cc1)c(/C=N\NC(C(Nc(cc2)cc(Cl)c2Cl)=O)=O)cc1Br |
| InChI | InChI=1S/C24H16BrCl2N3O4/c25-17-7-10-21(34-22(31)11-6-15-4-2-1-3-5-15)16(12-17)14-28-30-24(33)23(32)29-18-8-9-19(26)20(27)13-18/h1-14H,(H,29,32)(H,30,33) |
| InChIK | IDSZTXSPOUCDFS-UHFFFAOYSA-N |
| TotalMolweight | 561.218 |
| Molweight | 561.218 |
| MonoisotopicMass | 558.970122 |
| CLogP | 5.8408 |
| CLogS | -7.671 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 379.68 |
| Relative PSA | 0.22005 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | -0.51115 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-bromo-2-[(Z)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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