(E)-1,6-diphenylhex-1-en-5-yne-3,4-dione
Formula:C18H12O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,6-diphenylhex-1-en-5-yne-3,4-dione is a drug-like molecule.
| MolName | (E)-1,6-diphenylhex-1-en-5-yne-3,4-dione |
| MolecularFormula | C18H12O2 |
| Smiles | O=C(/C=C/c1ccccc1)C(C#Cc1ccccc1)=O |
| InChI | InChI=1S/C18H12O2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-11,13H |
| InChIK | BWHWKZNMFFYRQG-UHFFFAOYSA-N |
| TotalMolweight | 260.291 |
| Molweight | 260.291 |
| MonoisotopicMass | 260.08373 |
| CLogP | 3.2567 |
| CLogS | -4.295 |
| H Acceptors | 2 |
| TotalSurfaceArea | 224.82 |
| Relative PSA | 0.116 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -10.532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (E)-1,6-diphenylhex-1-en-5-yne-3,4-dione | 2 - (E)-1,6-diphenylhex-1-en-5-yne-3,4-dione
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