[(Z)-1-benzamido-2-phenylsulfanylethenyl]-triphenylphosphanium
Formula:C33H27NOPS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-1-benzamido-2-phenylsulfanylethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(Z)-1-benzamido-2-phenylsulfanylethenyl]-triphenylphosphanium |
| MolecularFormula | C33H27NOPS |
| Smiles | O=C(c1ccccc1)N/C(/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=C/Sc1ccccc1 |
| InChI | InChI=1S/C33H26NOPS/c35-33(27-16-6-1-7-17-27)34-32(26-37-31-24-14-5-15-25-31)36(28-18-8-2-9-19-28,29-20-10-3-11-21-29)30-22-12-4-13-23-30/h1-26H/p+1 |
| InChIK | SJYZHOXSPQHPAG-UHFFFAOYSA-O |
| TotalMolweight | 516.623 |
| Molweight | 516.623 |
| MonoisotopicMass | 516.155096 |
| CLogP | 8.3454 |
| CLogS | -9.118 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 397.21 |
| Relative PSA | 0.10571 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | -6.9012 |
| 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 | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 18 |
| Amides | 1 |
| StereoCon |
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