(5Z)-4-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]furan-2-one
Formula:C23H11NO2Cl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(5Z)-4-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]furan-2-one is not a drug-like molecule.
| MolName | (5Z)-4-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]furan-2-one |
| MolecularFormula | C23H11NO2Cl3F3 |
| Smiles | O=C(C(c(ncc(C(F)(F)F)c1)c1Cl)=C1c(cc2)ccc2Cl)O/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H11Cl3F3NO2/c24-15-5-1-12(2-6-15)9-18-19(13-3-7-16(25)8-4-13)20(22(31)32-18)21-17(26)10-14(11-30-21)23(27,28)29/h1-11H |
| InChIK | UZUMZVODRZWTBP-UHFFFAOYSA-N |
| TotalMolweight | 496.698 |
| Molweight | 496.698 |
| MonoisotopicMass | 494.980744 |
| CLogP | 5.9182 |
| CLogS | -6.852 |
| H Acceptors | 3 |
| TotalSurfaceArea | 329.14 |
| Relative PSA | 0.10333 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | -7.0387 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-4-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]furan-2-one | 2 - (5Z)-4-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]furan-2-one
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