(4E,5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
Formula:C23H15N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E,5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E,5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H15N2O5Cl |
| Smiles | [O-][N+](c(cc1)ccc1/C(/O)=C(/[C@H](c(cc1)ccc1Cl)N(C1=O)c2ccccc2)\C1=O)=O |
| InChI | InChI=1S/C23H15ClN2O5/c24-16-10-6-14(7-11-16)20-19(21(27)15-8-12-18(13-9-15)26(30)31)22(28)23(29)25(20)17-4-2-1-3-5-17/h1-13,20,27H/t20-/m0/s1 |
| InChIK | ABQSDRXJEHYBAK-FQEVSTJZSA-N |
| TotalMolweight | 434.834 |
| Molweight | 434.834 |
| MonoisotopicMass | 434.06695 |
| CLogP | 3.1187 |
| CLogS | -5.189 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 305.94 |
| Relative PSA | 0.2391 |
| PolarSurfaceArea | 103.43 |
| Druglikeness | -5.6333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (4E,5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione | 2 - (4E,5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off