(2Z,6Z)-2,6-bis[(2-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
Formula:C34H30O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,6Z)-2,6-bis[(2-phenylmethoxyphenyl)methylidene]cyclohexan-1-one is not a drug-like molecule.
| MolName | (2Z,6Z)-2,6-bis[(2-phenylmethoxyphenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C34H30O3 |
| Smiles | O=C(/C(/CCC1)=C\c(cccc2)c2OCc2ccccc2)/C1=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C34H30O3/c35-34-30(22-28-16-7-9-20-32(28)36-24-26-12-3-1-4-13-26)18-11-19-31(34)23-29-17-8-10-21-33(29)37-25-27-14-5-2-6-15-27/h1-10,12-17,20-23H,11,18-19,24-25H2 |
| InChIK | QDLAGLJWDAKIHR-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 | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56757 |
| 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 | 19 |
| StereoCon |
Click to Load Molecule:
1 - (2Z,6Z)-2,6-bis[(2-phenylmethoxyphenyl)methylidene]cyclohexan-1-one | 2 - (2Z,6Z)-2,6-bis[(2-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off