(4E)-5-(4-bromophenyl)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C23H16NO4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-bromophenyl)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-5-(4-bromophenyl)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C23H16NO4Br |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1Br)N(C1=O)c(cc2)ccc2O)/C1=O |
| InChI | InChI=1S/C23H16BrNO4/c24-16-8-6-14(7-9-16)20-19(21(27)15-4-2-1-3-5-15)22(28)23(29)25(20)17-10-12-18(26)13-11-17/h1-13,20,26-27H/t20-/m1/s1 |
| InChIK | JJVHGVSSKMYLAW-HXUWFJFHSA-N |
| TotalMolweight | 450.287 |
| Molweight | 450.287 |
| MonoisotopicMass | 449.02627 |
| CLogP | 3.8138 |
| CLogS | -4.531 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.83 |
| Relative PSA | 0.19131 |
| PolarSurfaceArea | 77.84 |
| Druglikeness | -2.3753 |
| 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 | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-5-(4-bromophenyl)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-5-(4-bromophenyl)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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