[(E)-1-benzamido-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium
Formula:C33H26NOFP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-1-benzamido-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-1-benzamido-2-(4-fluorophenyl)ethenyl]-triphenylphosphanium |
| MolecularFormula | C33H26NOFP |
| Smiles | O=C(c1ccccc1)N/C(/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C\c(cc1)ccc1F |
| InChI | InChI=1S/C33H25FNOP/c34-28-23-21-26(22-24-28)25-32(35-33(36)27-13-5-1-6-14-27)37(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-25H/p+1 |
| InChIK | JWYYZJIIACMINO-UHFFFAOYSA-O |
| TotalMolweight | 502.547 |
| Molweight | 502.547 |
| MonoisotopicMass | 502.173604 |
| CLogP | 8.3997 |
| CLogS | -9.044 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 386.07 |
| Relative PSA | 0.06346 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -8.595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.35135 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 1 |
| Symmetricatoms | 18 |
| Amides | 1 |
| StereoCon |
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