2-phenyl-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole
Formula:C25H18N2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-phenyl-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C25H18N2F6 |
| Smiles | FC(c1c(C(C2)N(c3ccccc3)N=C2/C=C/c2c(C(F)(F)F)cccc2)cccc1)(F)F |
| InChI | InChI=1S/C25H18F6N2/c26-24(27,28)21-12-6-4-8-17(21)14-15-18-16-23(33(32-18)19-9-2-1-3-10-19)20-11-5-7-13-22(20)25(29,30)31/h1-15,23H,16H2/t23-/m1/s1 |
| InChIK | RIGWXFFSMKKIQB-HSZRJFAPSA-N |
| TotalMolweight | 460.42 |
| Molweight | 460.42 |
| MonoisotopicMass | 460.137416 |
| CLogP | 7.3686 |
| CLogS | -6.251 |
| H Acceptors | 2 |
| TotalSurfaceArea | 324.23 |
| Relative PSA | 0.046449 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -4.3501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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1 - 2-phenyl-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole | 2 - 2-phenyl-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole
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