| MolName | (3Z)-3-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrol-2-one |
| MolecularFormula | C27H17NO3Cl2 |
| Smiles | Oc(cccc1)c1N(C(c1ccccc1)=C/C1=C/c2ccc(-c(cc(cc3)Cl)c3Cl)o2)C1=O |
| InChI | InChI=1S/C27H17Cl2NO3/c28-19-10-12-22(29)21(16-19)26-13-11-20(33-26)14-18-15-24(17-6-2-1-3-7-17)30(27(18)32)23-8-4-5-9-25(23)31/h1-16,31H |
| InChIK | MCIGMXSILOXEAD-UHFFFAOYSA-N |
| TotalMolweight | 474.342 |
| Molweight | 474.342 |
| MonoisotopicMass | 473.058548 |
| CLogP | 6.833 |
| CLogS | -7.66 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 343.39 |
| Relative PSA | 0.12755 |
| PolarSurfaceArea | 53.68 |
| Druglikeness | 4.0415 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrol-2-one | 2 - (3Z)-3-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrol-2-one