(4E)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-bromopyridin-2-yl)pyrrolidine-2,3-dione
Formula:C22H13N2O3Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-bromopyridin-2-yl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-bromopyridin-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C22H13N2O3Br3 |
| Smiles | O/C(/c(cc1)ccc1Br)=C(\C(c(cc1)ccc1Br)N(C1=O)c(cc2)ncc2Br)/C1=O |
| InChI | InChI=1S/C22H13Br3N2O3/c23-14-5-1-12(2-6-14)19-18(20(28)13-3-7-15(24)8-4-13)21(29)22(30)27(19)17-10-9-16(25)11-26-17/h1-11,19,28H/t19-/m1/s1 |
| InChIK | VABWKHBTQRJDEN-LJQANCHMSA-N |
| TotalMolweight | 593.068 |
| Molweight | 593.068 |
| MonoisotopicMass | 589.847626 |
| CLogP | 4.9604 |
| CLogS | -6.225 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.5 |
| Relative PSA | 0.16703 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | -2.3753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-bromopyridin-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-5-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-bromopyridin-2-yl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off