| MolName | (2E,6E)-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C34H30O3 |
| Smiles | O=C(/C(/CCC1)=C/c(cc2)ccc2OCc2ccccc2)/C1=C/c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C34H30O3/c35-34-30(22-26-14-18-32(19-15-26)36-24-28-8-3-1-4-9-28)12-7-13-31(34)23-27-16-20-33(21-17-27)37-25-29-10-5-2-6-11-29/h1-6,8-11,14-23H,7,12-13,24-25H2 |
| InChIK | CFPVWXYVGJLKGF-UHFFFAOYSA-N |
| TotalMolweight | 486.609 |
| Molweight | 486.609 |
| MonoisotopicMass | 486.219495 |
| CLogP | 7.5342 |
| CLogS | -7.272 |
| H Acceptors | 3 |
| TotalSurfaceArea | 395.01 |
| Relative PSA | 0.083643 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -2.3456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67568 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 21 |
| StereoCon |
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1 - (2E,6E)-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one | 2 - (2E,6E)-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one