3-(4-fluorophenyl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
Formula:C23H18N2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-fluorophenyl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 3-(4-fluorophenyl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole |
| MolecularFormula | C23H18N2F2 |
| Smiles | Fc1ccc(C(C2)N(c3ccccc3)N=C2/C=C/c(cc2)ccc2F)cc1 |
| InChI | InChI=1S/C23H18F2N2/c24-19-11-6-17(7-12-19)8-15-21-16-23(18-9-13-20(25)14-10-18)27(26-21)22-4-2-1-3-5-22/h1-15,23H,16H2/t23-/m1/s1 |
| InChIK | HSAFWTKPKGMEBG-HSZRJFAPSA-N |
| TotalMolweight | 360.406 |
| Molweight | 360.406 |
| MonoisotopicMass | 360.143804 |
| CLogP | 5.8736 |
| CLogS | -5.323 |
| H Acceptors | 2 |
| TotalSurfaceArea | 278.01 |
| Relative PSA | 0.054171 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 1.4999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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1 - 3-(4-fluorophenyl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole | 2 - 3-(4-fluorophenyl)-5-[(E)-2-(4-fluorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
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