[(1E)-buta-1,3-dienyl]-triphenylphosphanium
Formula:C22H20P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(1E)-buta-1,3-dienyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(1E)-buta-1,3-dienyl]-triphenylphosphanium |
| MolecularFormula | C22H20P |
| Smiles | C=C/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C22H20P/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2-19H,1H2/q+1 |
| InChIK | CQRVOJKIRCURAT-UHFFFAOYSA-N |
| TotalMolweight | 315.375 |
| Molweight | 315.375 |
| MonoisotopicMass | 315.130262 |
| CLogP | 6.0546 |
| CLogS | -6.14 |
| TotalSurfaceArea | 257.32 |
| Druglikeness | -14.23 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | phosphonium |
| Shape Index | 0.3913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 14 |
| StereoCon |
Click to Load Molecule:
1 - [(1E)-buta-1,3-dienyl]-triphenylphosphanium | 2 - [(1E)-buta-1,3-dienyl]-triphenylphosphanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off