(4E)-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)-1-phenylpyrrolidine-2,3-dione
Formula:C23H16N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)-1-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)-1-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H16N2O5 |
| Smiles | [O-][N+](c1ccc(C(/C(/C(C2=O)=O)=C(/c3ccccc3)\O)N2c2ccccc2)cc1)=O |
| InChI | InChI=1S/C23H16N2O5/c26-21(16-7-3-1-4-8-16)19-20(15-11-13-18(14-12-15)25(29)30)24(23(28)22(19)27)17-9-5-2-6-10-17/h1-14,20,26H/t20-/m1/s1 |
| InChIK | DZXYUBRZKZNJAO-HXUWFJFHSA-N |
| TotalMolweight | 400.389 |
| Molweight | 400.389 |
| MonoisotopicMass | 400.105923 |
| CLogP | 2.5127 |
| CLogS | -4.453 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.52 |
| Relative PSA | 0.25179 |
| PolarSurfaceArea | 103.43 |
| Druglikeness | -5.6884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)-1-phenylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)-1-phenylpyrrolidine-2,3-dione
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