(5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2,4-dichlorophenyl)methylidene]furan-2-one
Formula:C23H10NO2Cl4F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2,4-dichlorophenyl)methylidene]furan-2-one is not a drug-like molecule.
| MolName | (5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2,4-dichlorophenyl)methylidene]furan-2-one |
| MolecularFormula | C23H10NO2Cl4F3 |
| Smiles | O=C(C(c(ncc(C(F)(F)F)c1)c1Cl)=C1c(cc2)ccc2Cl)O/C1=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H10Cl4F3NO2/c24-14-4-1-11(2-5-14)19-18(7-12-3-6-15(25)9-16(12)26)33-22(32)20(19)21-17(27)8-13(10-31-21)23(28,29)30/h1-10H |
| InChIK | UTRWRUSGOFIMNX-UHFFFAOYSA-N |
| TotalMolweight | 531.143 |
| Molweight | 531.143 |
| MonoisotopicMass | 528.941771 |
| CLogP | 6.5242 |
| CLogS | -7.588 |
| H Acceptors | 3 |
| TotalSurfaceArea | 344.56 |
| Relative PSA | 0.098706 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | -7.0387 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2,4-dichlorophenyl)methylidene]furan-2-one | 2 - (5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(2,4-dichlorophenyl)methylidene]furan-2-one
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