2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole
Formula:C25H17N2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C25H17N2F7 |
| Smiles | FC(c1c(C(C2)N(c(cc3)ccc3F)N=C2/C=C/c2c(C(F)(F)F)cccc2)cccc1)(F)F |
| InChI | InChI=1S/C25H17F7N2/c26-17-10-13-19(14-11-17)34-23(20-6-2-4-8-22(20)25(30,31)32)15-18(33-34)12-9-16-5-1-3-7-21(16)24(27,28)29/h1-14,23H,15H2/t23-/m0/s1 |
| InChIK | VIWPLWWIZUQEOQ-QHCPKHFHSA-N |
| TotalMolweight | 478.41 |
| Molweight | 478.41 |
| MonoisotopicMass | 478.127994 |
| CLogP | 7.4694 |
| CLogS | -6.565 |
| H Acceptors | 2 |
| TotalSurfaceArea | 330.58 |
| Relative PSA | 0.045556 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -4.3501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole | 2 - 2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]-5-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydropyrazole
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