(4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Formula:C24H18NO4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H18NO4Cl |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c1cc(O)ccc1)N(Cc1ccccc1)C1=O)/C1=O |
| InChI | InChI=1S/C24H18ClNO4/c25-18-11-9-16(10-12-18)22(28)20-21(17-7-4-8-19(27)13-17)26(24(30)23(20)29)14-15-5-2-1-3-6-15/h1-13,21,27-28H,14H2/t21-/m1/s1 |
| InChIK | SBJABZQIFFBDBF-OAQYLSRUSA-N |
| TotalMolweight | 419.863 |
| Molweight | 419.863 |
| MonoisotopicMass | 419.092436 |
| CLogP | 3.6175 |
| CLogS | -3.911 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 302.38 |
| Relative PSA | 0.18464 |
| PolarSurfaceArea | 77.84 |
| Druglikeness | 0.6012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
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