(E)-3-phenyl-1-[4-(2-phenylethynyl)phenyl]prop-2-en-1-one
Formula:C23H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-[4-(2-phenylethynyl)phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-phenyl-1-[4-(2-phenylethynyl)phenyl]prop-2-en-1-one |
| MolecularFormula | C23H16O |
| Smiles | O=C(/C=C/c1ccccc1)c(cc1)ccc1C#Cc1ccccc1 |
| InChI | InChI=1S/C23H16O/c24-23(18-15-20-9-5-2-6-10-20)22-16-13-21(14-17-22)12-11-19-7-3-1-4-8-19/h1-10,13-18H |
| InChIK | PVULYECFODNOCC-UHFFFAOYSA-N |
| TotalMolweight | 308.379 |
| Molweight | 308.379 |
| MonoisotopicMass | 308.120115 |
| CLogP | 5.4878 |
| CLogS | -4.876 |
| H Acceptors | 1 |
| TotalSurfaceArea | 266.83 |
| Relative PSA | 0.04887 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -3.6175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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