[4-bromo-2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C23H23N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H23N2O3Br |
| Smiles | O=C(C1CCCCC1)N/N=C\c(cc(cc1)Br)c1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C23H23BrN2O3/c24-20-12-13-21(29-22(27)14-11-17-7-3-1-4-8-17)19(15-20)16-25-26-23(28)18-9-5-2-6-10-18/h1,3-4,7-8,11-16,18H,2,5-6,9-10H2,(H,26,28) |
| InChIK | YKIZISAZGBKHKL-UHFFFAOYSA-N |
| TotalMolweight | 455.351 |
| Molweight | 455.351 |
| MonoisotopicMass | 454.089204 |
| CLogP | 5.5868 |
| CLogS | -6.551 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 327.67 |
| Relative PSA | 0.18021 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -4.057 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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