2-[2-chloro-5-(trifluoromethyl)phenyl]-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
Formula:C20H14N2ClF3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-chloro-5-(trifluoromethyl)phenyl]-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-[2-chloro-5-(trifluoromethyl)phenyl]-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C20H14N2ClF3S2 |
| Smiles | FC(c(cc1)cc(N(C(C2)c3cccs3)N=C2/C=C/c2cccs2)c1Cl)(F)F |
| InChI | InChI=1S/C20H14ClF3N2S2/c21-16-8-5-13(20(22,23)24)11-17(16)26-18(19-4-2-10-28-19)12-14(25-26)6-7-15-3-1-9-27-15/h1-11,18H,12H2/t18-/m0/s1 |
| InChIK | DNQJPOVLCBGJCK-SFHVURJKSA-N |
| TotalMolweight | 438.924 |
| Molweight | 438.924 |
| MonoisotopicMass | 438.023899 |
| CLogP | 6.8595 |
| CLogS | -6.229 |
| H Acceptors | 2 |
| TotalSurfaceArea | 302.07 |
| Relative PSA | 0.18466 |
| PolarSurfaceArea | 72.08 |
| Druglikeness | -2.5605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[2-chloro-5-(trifluoromethyl)phenyl]-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole | 2 - 2-[2-chloro-5-(trifluoromethyl)phenyl]-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
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