[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H16N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H16N2O4Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H16Cl2N2O4/c23-17-8-11-20(19(24)12-17)29-14-21(27)26-25-13-15-6-9-18(10-7-15)30-22(28)16-4-2-1-3-5-16/h1-13H,14H2,(H,26,27) |
| InChIK | RWALLZKRLKZSNS-UHFFFAOYSA-N |
| TotalMolweight | 443.285 |
| Molweight | 443.285 |
| MonoisotopicMass | 442.048712 |
| CLogP | 5.419 |
| CLogS | -6.443 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 329.1 |
| Relative PSA | 0.20981 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| 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-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
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