triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium
Formula:C27H24P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium is not a drug-like molecule.
| MolName | triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium |
| MolecularFormula | C27H24P |
| Smiles | C(/C=C/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C27H24P/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27/h1-22H,23H2/q+1 |
| InChIK | CWZRWDUCONVNAX-UHFFFAOYSA-N |
| TotalMolweight | 379.462 |
| Molweight | 379.462 |
| MonoisotopicMass | 379.161562 |
| CLogP | 7.3958 |
| CLogS | -7.255 |
| TotalSurfaceArea | 306.3 |
| Druglikeness | -13.922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| StereoCon |
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