(4E)-5-(3-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C22H16NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(3-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(3-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C22H16NO4F |
| Smiles | O/C(/c1ccccc1)=C(\C(c1cccc(F)c1)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C22H16FNO4/c23-16-9-4-8-15(12-16)19-18(20(25)14-6-2-1-3-7-14)21(26)22(27)24(19)13-17-10-5-11-28-17/h1-12,19,25H,13H2/t19-/m1/s1 |
| InChIK | JUYWBZVJRYHARF-LJQANCHMSA-N |
| TotalMolweight | 377.37 |
| Molweight | 377.37 |
| MonoisotopicMass | 377.106337 |
| CLogP | 2.6467 |
| CLogS | -3.467 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.65 |
| Relative PSA | 0.20546 |
| PolarSurfaceArea | 70.75 |
| Druglikeness | -0.94184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(3-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-5-(3-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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