(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
Formula:C20H14NO5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C20H14NO5F |
| Smiles | O/C(/c(cc1)ccc1F)=C(\C(c1ccco1)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C20H14FNO5/c21-13-7-5-12(6-8-13)18(23)16-17(15-4-2-10-27-15)22(20(25)19(16)24)11-14-3-1-9-26-14/h1-10,17,23H,11H2/t17-/m0/s1 |
| InChIK | FLAKDWGKDKCJJS-KRWDZBQOSA-N |
| TotalMolweight | 367.331 |
| Molweight | 367.331 |
| MonoisotopicMass | 367.085602 |
| CLogP | 1.8354 |
| CLogS | -3.149 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.34 |
| Relative PSA | 0.26639 |
| PolarSurfaceArea | 83.89 |
| Druglikeness | -0.94184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
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