[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
Formula:C26H18O4Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | [4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate |
| MolecularFormula | C26H18O4Cl4 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)OCc1ccc(COC(/C=C/c(ccc(Cl)c2)c2Cl)=O)cc1 |
| InChI | InChI=1S/C26H18Cl4O4/c27-21-9-5-19(23(29)13-21)7-11-25(31)33-15-17-1-2-18(4-3-17)16-34-26(32)12-8-20-6-10-22(28)14-24(20)30/h1-14H,15-16H2 |
| InChIK | WYEIESPNFBAQIL-UHFFFAOYSA-N |
| TotalMolweight | 536.237 |
| Molweight | 536.237 |
| MonoisotopicMass | 533.995918 |
| CLogP | 7.4042 |
| CLogS | -8.228 |
| H Acceptors | 4 |
| TotalSurfaceArea | 390.48 |
| Relative PSA | 0.11801 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -3.0771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 18 |
| StereoCon |
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1 - [4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate | 2 - [4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]oxymethyl]phenyl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
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