trichloro-[(E)-2-phenylethenyl]phosphanium
Formula:C8H7Cl3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
trichloro-[(E)-2-phenylethenyl]phosphanium is a drug-like molecule.
| MolName | trichloro-[(E)-2-phenylethenyl]phosphanium |
| MolecularFormula | C8H7Cl3P |
| Smiles | Cl[P+](/C=C/c1ccccc1)(Cl)Cl |
| InChI | InChI=1S/C8H7Cl3P/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/q+1 |
| InChIK | PKVKMMQWXAHGMV-UHFFFAOYSA-N |
| TotalMolweight | 240.477 |
| Molweight | 240.477 |
| MonoisotopicMass | 238.935093 |
| CLogP | 1.9158 |
| CLogS | -4.543 |
| TotalSurfaceArea | 159.52 |
| Druglikeness | -10.21 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | Cl,Br,I on N,O,P,S,Se,I; phosphonium |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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