[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C23H24N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C23H24N2O3 |
| Smiles | O=C(C1CCCCC1)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C23H24N2O3/c26-22(16-13-18-7-3-1-4-8-18)28-21-14-11-19(12-15-21)17-24-25-23(27)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10H2,(H,25,27) |
| InChIK | XXEIOVHAQRHWKG-UHFFFAOYSA-N |
| TotalMolweight | 376.455 |
| Molweight | 376.455 |
| MonoisotopicMass | 376.178693 |
| CLogP | 4.8616 |
| CLogS | -5.717 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.04 |
| Relative PSA | 0.19108 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -2.267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon |
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