(E)-3-(2-chlorophenyl)-1-[4-(2-phenylethynyl)phenyl]prop-2-en-1-one
Formula:C23H15OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-1-[4-(2-phenylethynyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-1-[4-(2-phenylethynyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C23H15OCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)c(cc1)ccc1C#Cc1ccccc1 |
| InChI | InChI=1S/C23H15ClO/c24-22-9-5-4-8-20(22)16-17-23(25)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18/h1-9,12-17H |
| InChIK | SSUIJQHAMVDKLZ-UHFFFAOYSA-N |
| TotalMolweight | 342.824 |
| Molweight | 342.824 |
| MonoisotopicMass | 342.081142 |
| CLogP | 6.0938 |
| CLogS | -5.612 |
| H Acceptors | 1 |
| TotalSurfaceArea | 282.25 |
| Relative PSA | 0.0462 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.5323 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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