3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
Formula:C24H15N2Cl4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole |
| MolecularFormula | C24H15N2Cl4F3 |
| Smiles | FC(c1cccc(N(C(C2)c(ccc(Cl)c3)c3Cl)N=C2/C=C/c(ccc(Cl)c2)c2Cl)c1)(F)F |
| InChI | InChI=1S/C24H15Cl4F3N2/c25-16-6-4-14(21(27)11-16)5-8-18-13-23(20-9-7-17(26)12-22(20)28)33(32-18)19-3-1-2-15(10-19)24(29,30)31/h1-12,23H,13H2/t23-/m1/s1 |
| InChIK | WBOJXVXTKGXWHW-HSZRJFAPSA-N |
| TotalMolweight | 530.203 |
| Molweight | 530.203 |
| MonoisotopicMass | 527.99414 |
| CLogP | 8.9443 |
| CLogS | -8.417 |
| H Acceptors | 2 |
| TotalSurfaceArea | 356.45 |
| Relative PSA | 0.04225 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -4.3189 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole | 2 - 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
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