(5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(4-nitrophenyl)methylidene]furan-2-one
Formula:C23H11N2O4Cl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(4-nitrophenyl)methylidene]furan-2-one is not a drug-like molecule.
| MolName | (5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(4-nitrophenyl)methylidene]furan-2-one |
| MolecularFormula | C23H11N2O4Cl2F3 |
| Smiles | [O-][N+](c1ccc(/C=C(/C(c(cc2)ccc2Cl)=C2c(ncc(C(F)(F)F)c3)c3Cl)\OC2=O)cc1)=O |
| InChI | InChI=1S/C23H11Cl2F3N2O4/c24-15-5-3-13(4-6-15)19-18(9-12-1-7-16(8-2-12)30(32)33)34-22(31)20(19)21-17(25)10-14(11-29-21)23(26,27)28/h1-11H |
| InChIK | DVADYNIXSLYIAC-UHFFFAOYSA-N |
| TotalMolweight | 507.25 |
| Molweight | 507.25 |
| MonoisotopicMass | 506.004796 |
| CLogP | 4.3906 |
| CLogS | -6.576 |
| H Acceptors | 6 |
| TotalSurfaceArea | 337.39 |
| Relative PSA | 0.19097 |
| PolarSurfaceArea | 85.01 |
| Druglikeness | -12.038 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(4-nitrophenyl)methylidene]furan-2-one | 2 - (5Z)-4-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-[(4-nitrophenyl)methylidene]furan-2-one
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