(4E)-1-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C23H14NO3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-1-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C23H14NO3Cl3 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(ccc(Cl)c1)c1Cl)N(C1=O)c2cc(Cl)ccc2)/C1=O |
| InChI | InChI=1S/C23H14Cl3NO3/c24-14-7-4-8-16(11-14)27-20(17-10-9-15(25)12-18(17)26)19(22(29)23(27)30)21(28)13-5-2-1-3-6-13/h1-12,20,28H/t20-/m1/s1 |
| InChIK | GFFIZMQBDHMOFF-HXUWFJFHSA-N |
| TotalMolweight | 458.727 |
| Molweight | 458.727 |
| MonoisotopicMass | 457.003925 |
| CLogP | 5.2523 |
| CLogS | -6.201 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 313.11 |
| Relative PSA | 0.13647 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -0.54083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-1-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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