[(E)-3-diphenylphosphorylprop-1-enyl]benzene
Formula:C21H19OP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-diphenylphosphorylprop-1-enyl]benzene is not a drug-like molecule.
| MolName | [(E)-3-diphenylphosphorylprop-1-enyl]benzene |
| MolecularFormula | C21H19OP |
| Smiles | O=P(C/C=C/c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H19OP/c22-23(20-14-6-2-7-15-20,21-16-8-3-9-17-21)18-10-13-19-11-4-1-5-12-19/h1-17H,18H2 |
| InChIK | OKSIVSNKUUISMW-UHFFFAOYSA-N |
| TotalMolweight | 318.355 |
| Molweight | 318.355 |
| MonoisotopicMass | 318.117352 |
| CLogP | 5.2079 |
| CLogS | -5.552 |
| H Acceptors | 1 |
| TotalSurfaceArea | 256.81 |
| Relative PSA | 0.066275 |
| PolarSurfaceArea | 26.88 |
| Druglikeness | -16.081 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-3-diphenylphosphorylprop-1-enyl]benzene | 2 - [(E)-3-diphenylphosphorylprop-1-enyl]benzene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off