(E)-4-(2,6-diphenyloxan-4-ylidene)-1,5-diphenylpent-2-ene-1,5-dione
Formula:C34H28O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(2,6-diphenyloxan-4-ylidene)-1,5-diphenylpent-2-ene-1,5-dione is not a drug-like molecule.
| MolName | (E)-4-(2,6-diphenyloxan-4-ylidene)-1,5-diphenylpent-2-ene-1,5-dione |
| MolecularFormula | C34H28O3 |
| Smiles | O=C(/C=C/C(C(c1ccccc1)=O)=C(C1)CC(c2ccccc2)OC1c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C34H28O3/c35-31(25-13-5-1-6-14-25)22-21-30(34(36)28-19-11-4-12-20-28)29-23-32(26-15-7-2-8-16-26)37-33(24-29)27-17-9-3-10-18-27/h1-22,32-33H,23-24H2 |
| InChIK | HTDZMLRQCGWJCE-UHFFFAOYSA-N |
| TotalMolweight | 484.593 |
| Molweight | 484.593 |
| MonoisotopicMass | 484.203845 |
| CLogP | 6.9214 |
| CLogS | -6.683 |
| H Acceptors | 3 |
| TotalSurfaceArea | 386.48 |
| Relative PSA | 0.093355 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | 1.5165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40541 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 14 |
| StereoCon | unknown chirality |
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