(4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione
Formula:C23H15NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H15NO3Cl2 |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1Cl)N(C1=O)c2ccccc2)/C1=O |
| InChI | InChI=1S/C23H15Cl2NO3/c24-16-10-6-14(7-11-16)20-19(21(27)15-8-12-17(25)13-9-15)22(28)23(29)26(20)18-4-2-1-3-5-18/h1-13,20,27H/t20-/m1/s1 |
| InChIK | KHBPIIADKLVSJS-HXUWFJFHSA-N |
| TotalMolweight | 424.282 |
| Molweight | 424.282 |
| MonoisotopicMass | 423.042898 |
| CLogP | 4.6463 |
| CLogS | -5.465 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 297.69 |
| Relative PSA | 0.14354 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -0.54083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione | 2 - (4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione
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