[4-bromo-2-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C23H16N2O3BrI
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H16N2O3BrI |
| Smiles | O=C(/C=C/c1ccccc1)Oc(cc1)c(/C=N\NC(c(cccc2)c2I)=O)cc1Br |
| InChI | InChI=1S/C23H16BrIN2O3/c24-18-11-12-21(30-22(28)13-10-16-6-2-1-3-7-16)17(14-18)15-26-27-23(29)19-8-4-5-9-20(19)25/h1-15H,(H,27,29) |
| InChIK | MDLMGHSBDPHPNV-UHFFFAOYSA-N |
| TotalMolweight | 575.195 |
| Molweight | 575.195 |
| MonoisotopicMass | 573.938902 |
| CLogP | 6.1236 |
| CLogS | -7.411 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 345.91 |
| Relative PSA | 0.17071 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 0.5161 |
| 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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