[(E)-3-bromoprop-2-enyl]-triphenylphosphanium
Formula:C21H19BrP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-bromoprop-2-enyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-3-bromoprop-2-enyl]-triphenylphosphanium |
| MolecularFormula | C21H19BrP |
| Smiles | Br/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H19BrP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-17H,18H2/q+1 |
| InChIK | YFBWZDUHEGEUEK-UHFFFAOYSA-N |
| TotalMolweight | 382.26 |
| Molweight | 382.26 |
| MonoisotopicMass | 381.040773 |
| CLogP | 6.146 |
| CLogS | -6.474 |
| TotalSurfaceArea | 265.17 |
| Druglikeness | -15.81 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.3913 |
| 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 | 14 |
| StereoCon |
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