[(Z)-2-phenoxycarbonyloxy-2-phenylethenyl]-triphenylphosphanium
Formula:C33H26O3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-phenoxycarbonyloxy-2-phenylethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(Z)-2-phenoxycarbonyloxy-2-phenylethenyl]-triphenylphosphanium |
| MolecularFormula | C33H26O3P |
| Smiles | O=C(O/C(/c1ccccc1)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1 |
| InChI | InChI=1S/C33H26O3P/c34-33(35-28-18-8-2-9-19-28)36-32(27-16-6-1-7-17-27)26-37(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-26H/q+1 |
| InChIK | HEUYHYWLXCZKRO-UHFFFAOYSA-N |
| TotalMolweight | 501.54 |
| Molweight | 501.54 |
| MonoisotopicMass | 501.161957 |
| CLogP | 8.4023 |
| CLogS | -8.746 |
| H Acceptors | 3 |
| TotalSurfaceArea | 388.26 |
| Relative PSA | 0.085098 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -9.7862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.37838 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 3 |
| Symmetricatoms | 18 |
| StereoCon |
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