(4-phenylphenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
Formula:C21H14O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-phenylphenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | (4-phenylphenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate |
| MolecularFormula | C21H14O2Cl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Oc(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H14Cl2O2/c22-18-10-6-17(20(23)14-18)9-13-21(24)25-19-11-7-16(8-12-19)15-4-2-1-3-5-15/h1-14H |
| InChIK | QMWQAIQLWGIHMI-UHFFFAOYSA-N |
| TotalMolweight | 369.246 |
| Molweight | 369.246 |
| MonoisotopicMass | 368.037084 |
| CLogP | 6.2905 |
| CLogS | -7.014 |
| H Acceptors | 2 |
| TotalSurfaceArea | 277.87 |
| Relative PSA | 0.082916 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -3.1899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4-phenylphenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate | 2 - (4-phenylphenyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
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