2-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]naphthalene
Formula:C22H18
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]naphthalene is not a drug-like molecule.
| MolName | 2-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]naphthalene |
| MolecularFormula | C22H18 |
| Smiles | C(/C=C/c1ccccc1)=C/C=C/c1cc2ccccc2cc1 |
| InChI | InChI=1S/C22H18/c1(4-10-19-11-6-3-7-12-19)2-5-13-20-16-17-21-14-8-9-15-22(21)18-20/h1-18H |
| InChIK | FVHQIEVOPVGNMM-UHFFFAOYSA-N |
| TotalMolweight | 282.385 |
| Molweight | 282.385 |
| MonoisotopicMass | 282.14085 |
| CLogP | 6.3742 |
| CLogS | -5.982 |
| TotalSurfaceArea | 247.12 |
| Druglikeness | -0.97823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]naphthalene | 2 - 2-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]naphthalene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off