[2,4-diphenyl-1-[(E)-2-phenylethenyl]cyclopent-3-en-1-yl]benzene
Formula:C31H26
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[2,4-diphenyl-1-[(E)-2-phenylethenyl]cyclopent-3-en-1-yl]benzene is not a drug-like molecule.
| MolName | [2,4-diphenyl-1-[(E)-2-phenylethenyl]cyclopent-3-en-1-yl]benzene |
| MolecularFormula | C31H26 |
| Smiles | C(C1(/C=C/c2ccccc2)c2ccccc2)C(c2ccccc2)=CC1c1ccccc1 |
| InChI | InChI=1S/C31H26/c1-5-13-25(14-6-1)21-22-31(29-19-11-4-12-20-29)24-28(26-15-7-2-8-16-26)23-30(31)27-17-9-3-10-18-27/h1-23,30H,24H2 |
| InChIK | DIRSIMFTVBKYQW-UHFFFAOYSA-N |
| TotalMolweight | 398.547 |
| Molweight | 398.547 |
| MonoisotopicMass | 398.20345 |
| CLogP | 7.7236 |
| CLogS | -6.904 |
| TotalSurfaceArea | 326.92 |
| Druglikeness | -0.060719 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon | unknown chirality |
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