[(E)-2-benzamidoethenyl]-triphenylphosphanium
Formula:C27H23NOP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-benzamidoethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-2-benzamidoethenyl]-triphenylphosphanium |
| MolecularFormula | C27H23NOP |
| Smiles | O=C(c1ccccc1)N/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C27H22NOP/c29-27(23-13-5-1-6-14-23)28-21-22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/p+1 |
| InChIK | ATGXNLLGQACRPJ-UHFFFAOYSA-O |
| TotalMolweight | 408.46 |
| Molweight | 408.46 |
| MonoisotopicMass | 408.151726 |
| CLogP | 5.8646 |
| CLogS | -7.05 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 321.75 |
| Relative PSA | 0.076146 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -7.5696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 16 |
| Amides | 1 |
| StereoCon |
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