4-hydroxy-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
Formula:C26H18NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is a drug-like molecule.
| MolName | 4-hydroxy-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one |
| MolecularFormula | C26H18NO3F3 |
| Smiles | OC(C(N(C1c2ccccc2)c2cccc(C(F)(F)F)c2)=O)=C1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C26H18F3NO3/c27-26(28,29)19-12-7-13-20(16-19)30-23(18-10-5-2-6-11-18)22(24(32)25(30)33)21(31)15-14-17-8-3-1-4-9-17/h1-16,23,32H/t23-/m1/s1 |
| InChIK | HZYBHUSUBXHFHT-HSZRJFAPSA-N |
| TotalMolweight | 449.427 |
| Molweight | 449.427 |
| MonoisotopicMass | 449.123878 |
| CLogP | 4.7883 |
| CLogS | -5.481 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 322.81 |
| Relative PSA | 0.13237 |
| 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 | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 |
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1 - 4-hydroxy-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one | 2 - 4-hydroxy-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
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