(4E)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Formula:C24H14N3O7F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione |
| MolecularFormula | C24H14N3O7F3 |
| Smiles | [O-][N+](c1ccc(C(/C(/C(C2=O)=O)=C(/c(cc3)ccc3[N+]([O-])=O)\O)N2c2cccc(C(F)(F)F)c2)cc1)=O |
| InChI | InChI=1S/C24H14F3N3O7/c25-24(26,27)15-2-1-3-18(12-15)28-20(13-4-8-16(9-5-13)29(34)35)19(22(32)23(28)33)21(31)14-6-10-17(11-7-14)30(36)37/h1-12,20,31H/t20-/m1/s1 |
| InChIK | YNFCWIWTHXVRDG-HXUWFJFHSA-N |
| TotalMolweight | 513.383 |
| Molweight | 513.383 |
| MonoisotopicMass | 513.078386 |
| CLogP | 2.4394 |
| CLogS | -5.691 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 343.65 |
| Relative PSA | 0.30138 |
| PolarSurfaceArea | 149.25 |
| Druglikeness | -12.878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.40541 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
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