[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate
Formula:C25H22N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] 4-(2,4-dichlorophenoxy)butanoate |
| MolecularFormula | C25H22N2O5Cl2 |
| Smiles | O=C(COc1ccccc1)N/N=C\c(cc1)ccc1OC(CCCOc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C25H22Cl2N2O5/c26-19-10-13-23(22(27)15-19)32-14-4-7-25(31)34-21-11-8-18(9-12-21)16-28-29-24(30)17-33-20-5-2-1-3-6-20/h1-3,5-6,8-13,15-16H,4,7,14,17H2,(H,29,30) |
| InChIK | RTHRFMVKHXMSQC-UHFFFAOYSA-N |
| TotalMolweight | 501.365 |
| Molweight | 501.365 |
| MonoisotopicMass | 500.090577 |
| CLogP | 5.9027 |
| CLogS | -6.763 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 380.38 |
| Relative PSA | 0.20782 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | -2.1939 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73529 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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