(4Z)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
Formula:C20H17NO4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C20H17NO4Br2 |
| Smiles | OCCCN(C(/C(/C1=O)=C(\c(cc2)ccc2Br)/O)c(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C20H17Br2NO4/c21-14-6-2-12(3-7-14)17-16(18(25)13-4-8-15(22)9-5-13)19(26)20(27)23(17)10-1-11-24/h2-9,17,24-25H,1,10-11H2/t17-/m1/s1 |
| InChIK | ASLPYLMOUXIJKO-QGZVFWFLSA-N |
| TotalMolweight | 495.166 |
| Molweight | 495.166 |
| MonoisotopicMass | 492.952431 |
| CLogP | 3.3235 |
| CLogS | -3.879 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.98 |
| Relative PSA | 0.19121 |
| PolarSurfaceArea | 77.84 |
| Druglikeness | -2.9513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4Z)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione | 2 - (4Z)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
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