2-(4-fluorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
Formula:C26H17NO3F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is a drug-like molecule.
| MolName | 2-(4-fluorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one |
| MolecularFormula | C26H17NO3F4 |
| Smiles | OC(C(N(C1c(cc2)ccc2F)c2cc(C(F)(F)F)ccc2)=O)=C1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C26H17F4NO3/c27-19-12-10-17(11-13-19)23-22(21(32)14-9-16-5-2-1-3-6-16)24(33)25(34)31(23)20-8-4-7-18(15-20)26(28,29)30/h1-15,23,33H/t23-/m1/s1 |
| InChIK | CHRGKAPEURNTEW-HSZRJFAPSA-N |
| TotalMolweight | 467.417 |
| Molweight | 467.417 |
| MonoisotopicMass | 467.114456 |
| CLogP | 4.8891 |
| CLogS | -5.795 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 329.16 |
| Relative PSA | 0.12982 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -3.803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 4-acyl-3-azoline-2-one-3-ol |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(4-fluorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one | 2 - 2-(4-fluorophenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
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