[5-(2,3-dichlorophenyl)furan-2-yl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
Formula:C20H12O3Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[5-(2,3-dichlorophenyl)furan-2-yl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | [5-(2,3-dichlorophenyl)furan-2-yl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate |
| MolecularFormula | C20H12O3Cl4 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C20H12Cl4O3/c21-13-6-4-12(17(23)10-13)5-9-19(25)26-11-14-7-8-18(27-14)15-2-1-3-16(22)20(15)24/h1-10H,11H2 |
| InChIK | QCWFRGUMAYFHDL-UHFFFAOYSA-N |
| TotalMolweight | 442.124 |
| Molweight | 442.124 |
| MonoisotopicMass | 439.954053 |
| CLogP | 6.6828 |
| CLogS | -7.854 |
| H Acceptors | 3 |
| TotalSurfaceArea | 312.16 |
| Relative PSA | 0.11901 |
| PolarSurfaceArea | 39.44 |
| Druglikeness | -1.5337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [5-(2,3-dichlorophenyl)furan-2-yl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate | 2 - [5-(2,3-dichlorophenyl)furan-2-yl]methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
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