(E)-3-[4-(2,2-dichlorocyclopropyl)phenyl]-1-phenylprop-2-en-1-one
Formula:C18H14OCl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(E)-3-[4-(2,2-dichlorocyclopropyl)phenyl]-1-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[4-(2,2-dichlorocyclopropyl)phenyl]-1-phenylprop-2-en-1-one |
| MolecularFormula | C18H14OCl2 |
| Smiles | O=C(/C=C/c1ccc(C(C2)C2(Cl)Cl)cc1)c1ccccc1 |
| InChI | InChI=1S/C18H14Cl2O/c19-18(20)12-16(18)14-9-6-13(7-10-14)8-11-17(21)15-4-2-1-3-5-15/h1-11,16H,12H2/t16-/m0/s1 |
| InChIK | SZULUGHAPLIYLO-INIZCTEOSA-N |
| TotalMolweight | 317.214 |
| Molweight | 317.214 |
| MonoisotopicMass | 316.042169 |
| CLogP | 5.2637 |
| CLogS | -5.677 |
| H Acceptors | 1 |
| TotalSurfaceArea | 231.28 |
| Relative PSA | 0.056382 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.81613 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon | racemate |
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