(4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-nitrophenyl)pyrrolidine-2,3-dione
Formula:C23H15N2O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-nitrophenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-nitrophenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H15N2O5F |
| Smiles | [O-][N+](c1cccc(N(C(/C(/C2=O)=C(/c3ccccc3)\O)c(cccc3)c3F)C2=O)c1)=O |
| InChI | InChI=1S/C23H15FN2O5/c24-18-12-5-4-11-17(18)20-19(21(27)14-7-2-1-3-8-14)22(28)23(29)25(20)15-9-6-10-16(13-15)26(30)31/h1-13,20,27H/t20-/m1/s1 |
| InChIK | JIKMDNCQTCAORB-HXUWFJFHSA-N |
| TotalMolweight | 418.379 |
| Molweight | 418.379 |
| MonoisotopicMass | 418.096501 |
| CLogP | 2.6135 |
| CLogS | -4.767 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 296.87 |
| Relative PSA | 0.2464 |
| PolarSurfaceArea | 103.43 |
| Druglikeness | -7.0284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-nitrophenyl)pyrrolidine-2,3-dione | 2 - (4E)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-nitrophenyl)pyrrolidine-2,3-dione
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