(3Z)-1-benzyl-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one
Formula:C28H19NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3Z)-1-benzyl-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one is not a drug-like molecule.
| MolName | (3Z)-1-benzyl-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-5-phenylpyrrol-2-one |
| MolecularFormula | C28H19NO2Cl2 |
| Smiles | O=C1N(Cc2ccccc2)C(c2ccccc2)=C/C1=C/c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C28H19Cl2NO2/c29-24-13-11-21(16-25(24)30)27-14-12-23(33-27)15-22-17-26(20-9-5-2-6-10-20)31(28(22)32)18-19-7-3-1-4-8-19/h1-17H,18H2 |
| InChIK | NORIVPKZZRBMPU-UHFFFAOYSA-N |
| TotalMolweight | 472.37 |
| Molweight | 472.37 |
| MonoisotopicMass | 471.079283 |
| CLogP | 7.1016 |
| CLogS | -7.434 |
| H Acceptors | 3 |
| TotalSurfaceArea | 350.8 |
| Relative PSA | 0.087514 |
| PolarSurfaceArea | 33.45 |
| Druglikeness | 5.12 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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