[4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H18N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H18N2O4Cl2 |
| Smiles | O=C(COc1cccc(Cl)c1Cl)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C24H18Cl2N2O4/c25-20-7-4-8-21(24(20)26)31-16-22(29)28-27-15-18-9-12-19(13-10-18)32-23(30)14-11-17-5-2-1-3-6-17/h1-15H,16H2,(H,28,29) |
| InChIK | PQYATIYFZOKYCB-UHFFFAOYSA-N |
| TotalMolweight | 469.323 |
| Molweight | 469.323 |
| MonoisotopicMass | 468.064362 |
| CLogP | 5.7482 |
| CLogS | -6.813 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 355.6 |
| Relative PSA | 0.19418 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 1.9362 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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