5-(4-chlorophenyl)-3-[(Z)-2-(4-chlorophenyl)-2-phenylethenyl]-5-phenyloxolan-2-one
Formula:C30H22O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
5-(4-chlorophenyl)-3-[(Z)-2-(4-chlorophenyl)-2-phenylethenyl]-5-phenyloxolan-2-one is not a drug-like molecule.
| MolName | 5-(4-chlorophenyl)-3-[(Z)-2-(4-chlorophenyl)-2-phenylethenyl]-5-phenyloxolan-2-one |
| MolecularFormula | C30H22O2Cl2 |
| Smiles | O=C(C(C1)/C=C(/c2ccccc2)\c(cc2)ccc2Cl)OC1(c1ccccc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C30H22Cl2O2/c31-26-15-11-22(12-16-26)28(21-7-3-1-4-8-21)19-23-20-30(34-29(23)33,24-9-5-2-6-10-24)25-13-17-27(32)18-14-25/h1-19,23H,20H2 |
| InChIK | VDUSSYSWTYXXAX-UHFFFAOYSA-N |
| TotalMolweight | 485.409 |
| Molweight | 485.409 |
| MonoisotopicMass | 484.099684 |
| CLogP | 6.569 |
| CLogS | -7.733 |
| H Acceptors | 2 |
| TotalSurfaceArea | 359.01 |
| Relative PSA | 0.064176 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.6555 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 5-(4-chlorophenyl)-3-[(Z)-2-(4-chlorophenyl)-2-phenylethenyl]-5-phenyloxolan-2-one | 2 - 5-(4-chlorophenyl)-3-[(Z)-2-(4-chlorophenyl)-2-phenylethenyl]-5-phenyloxolan-2-one
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