(3Z)-3-[(2-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione
Formula:C17H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3Z)-3-[(2-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,5-dione |
| MolecularFormula | C17H12N2O4 |
| Smiles | [O-][N+](c1c(/C=C(/CC(N2c3ccccc3)=O)\C2=O)cccc1)=O |
| InChI | InChI=1S/C17H12N2O4/c20-16-11-13(10-12-6-4-5-9-15(12)19(22)23)17(21)18(16)14-7-2-1-3-8-14/h1-10H,11H2 |
| InChIK | MUUGFWCNMNYPCH-UHFFFAOYSA-N |
| TotalMolweight | 308.292 |
| Molweight | 308.292 |
| MonoisotopicMass | 308.079708 |
| CLogP | 1.8438 |
| CLogS | -4.156 |
| H Acceptors | 6 |
| TotalSurfaceArea | 227.46 |
| Relative PSA | 0.264 |
| PolarSurfaceArea | 83.2 |
| Druglikeness | -1.8716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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