[4-bromo-2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C23H16N2O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H16N2O3BrCl |
| Smiles | O=C(/C=C/c1ccccc1)Oc(cc1)c(/C=N\NC(c2cc(Cl)ccc2)=O)cc1Br |
| InChI | InChI=1S/C23H16BrClN2O3/c24-19-10-11-21(30-22(28)12-9-16-5-2-1-3-6-16)18(13-19)15-26-27-23(29)17-7-4-8-20(25)14-17/h1-15H,(H,27,29) |
| InChIK | JTUKHWYXLCGMHL-UHFFFAOYSA-N |
| TotalMolweight | 483.748 |
| Molweight | 483.748 |
| MonoisotopicMass | 482.003281 |
| CLogP | 6.2925 |
| CLogS | -7.131 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.05 |
| Relative PSA | 0.17624 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 0.12667 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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