[(1E,5E)-6-phenyl-3-[(E)-2-phenylethenyl]hexa-1,3,5-trienyl]benzene
Formula:C26H22
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(1E,5E)-6-phenyl-3-[(E)-2-phenylethenyl]hexa-1,3,5-trienyl]benzene is not a drug-like molecule.
| MolName | [(1E,5E)-6-phenyl-3-[(E)-2-phenylethenyl]hexa-1,3,5-trienyl]benzene |
| MolecularFormula | C26H22 |
| Smiles | C(C=C(/C=C/c1ccccc1)/C=C/c1ccccc1)=C/c1ccccc1 |
| InChI | InChI=1S/C26H22/c1-4-11-23(12-5-1)17-10-18-26(21-19-24-13-6-2-7-14-24)22-20-25-15-8-3-9-16-25/h1-22H |
| InChIK | CISGQXZKFFPEDO-UHFFFAOYSA-N |
| TotalMolweight | 334.461 |
| Molweight | 334.461 |
| MonoisotopicMass | 334.17215 |
| CLogP | 7.5592 |
| CLogS | -6.04 |
| TotalSurfaceArea | 296.99 |
| Druglikeness | -0.44881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 12 |
| StereoCon |
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