(E)-1,5-diphenyl-3-(2-phenylethynyl)pent-1-en-4-yn-3-ol
Formula:C25H18O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,5-diphenyl-3-(2-phenylethynyl)pent-1-en-4-yn-3-ol is not a drug-like molecule.
| MolName | (E)-1,5-diphenyl-3-(2-phenylethynyl)pent-1-en-4-yn-3-ol |
| MolecularFormula | C25H18O |
| Smiles | OC(/C=C/c1ccccc1)(C#Cc1ccccc1)C#Cc1ccccc1 |
| InChI | InChI=1S/C25H18O/c26-25(19-16-22-10-4-1-5-11-22,20-17-23-12-6-2-7-13-23)21-18-24-14-8-3-9-15-24/h1-16,19,26H |
| InChIK | JJQDIWJXVDJXRH-UHFFFAOYSA-N |
| TotalMolweight | 334.417 |
| Molweight | 334.417 |
| MonoisotopicMass | 334.135765 |
| CLogP | 5.9708 |
| CLogS | -6.358 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 295.64 |
| Relative PSA | 0.044311 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -4.2294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 12 |
| StereoCon |
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