3-phenyl-5-[(E)-2-phenylethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
Formula:C24H19N2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-5-[(E)-2-phenylethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 3-phenyl-5-[(E)-2-phenylethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole |
| MolecularFormula | C24H19N2F3 |
| Smiles | FC(c1cc(N(C(C2)c3ccccc3)N=C2/C=C/c2ccccc2)ccc1)(F)F |
| InChI | InChI=1S/C24H19F3N2/c25-24(26,27)20-12-7-13-22(16-20)29-23(19-10-5-2-6-11-19)17-21(28-29)15-14-18-8-3-1-4-9-18/h1-16,23H,17H2/t23-/m0/s1 |
| InChIK | ZSCCAQFRTCVVOB-QHCPKHFHSA-N |
| TotalMolweight | 392.423 |
| Molweight | 392.423 |
| MonoisotopicMass | 392.150032 |
| CLogP | 6.5203 |
| CLogS | -5.473 |
| H Acceptors | 2 |
| TotalSurfaceArea | 294.77 |
| Relative PSA | 0.051091 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -4.3501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-phenyl-5-[(E)-2-phenylethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole | 2 - 3-phenyl-5-[(E)-2-phenylethenyl]-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
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