(E)-1,3,5-triphenylpent-2-ene-1,5-dione
Formula:C23H18O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-1,3,5-triphenylpent-2-ene-1,5-dione is a drug-like molecule.
| MolName | (E)-1,3,5-triphenylpent-2-ene-1,5-dione |
| MolecularFormula | C23H18O2 |
| Smiles | O=C(C/C(/c1ccccc1)=C\C(c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C23H18O2/c24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20/h1-16H,17H2 |
| InChIK | DNFKLFZFLOSFFB-UHFFFAOYSA-N |
| TotalMolweight | 326.394 |
| Molweight | 326.394 |
| MonoisotopicMass | 326.13068 |
| CLogP | 4.5322 |
| CLogS | -5.155 |
| H Acceptors | 2 |
| TotalSurfaceArea | 266.75 |
| Relative PSA | 0.097769 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | 0.51491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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