(4E,5S)-1-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Formula:C23H16NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-1-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-1-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H16NO3Br |
| Smiles | O/C(/c1ccccc1)=C(\[C@H](c1ccccc1)N(C1=O)c2cccc(Br)c2)/C1=O |
| InChI | InChI=1S/C23H16BrNO3/c24-17-12-7-13-18(14-17)25-20(15-8-3-1-4-9-15)19(22(27)23(25)28)21(26)16-10-5-2-6-11-16/h1-14,20,26H/t20-/m0/s1 |
| InChIK | RTKMTWAHZZSDBE-FQEVSTJZSA-N |
| TotalMolweight | 434.288 |
| Molweight | 434.288 |
| MonoisotopicMass | 433.031355 |
| CLogP | 4.1595 |
| CLogS | -4.827 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.48 |
| Relative PSA | 0.14968 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | -2.3753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4E,5S)-1-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione | 2 - (4E,5S)-1-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off