[5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]furan-2-yl]methyl-triphenylphosphanium
Formula:C33H25NO3P
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]furan-2-yl]methyl-triphenylphosphanium is not a drug-like molecule.
| MolName | [5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]furan-2-yl]methyl-triphenylphosphanium |
| MolecularFormula | C33H25NO3P |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C\c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1 |
| InChI | InChI=1S/C33H25NO3P/c35-33-31(34-32(37-33)25-13-5-1-6-14-25)23-26-21-22-27(36-26)24-38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-23H,24H2/q+1 |
| InChIK | ZDMLJHDZCNWGTQ-UHFFFAOYSA-N |
| TotalMolweight | 514.54 |
| Molweight | 514.54 |
| MonoisotopicMass | 514.157206 |
| CLogP | 6.7849 |
| CLogS | -9.073 |
| H Acceptors | 4 |
| TotalSurfaceArea | 391.18 |
| Relative PSA | 0.12439 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -10.316 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 16 |
| StereoCon |
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