3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(2-fluorophenyl)-3,4-dihydropyrazole
Formula:C23H15N2Cl4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(2-fluorophenyl)-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(2-fluorophenyl)-3,4-dihydropyrazole |
| MolecularFormula | C23H15N2Cl4F |
| Smiles | Fc(cccc1)c1N(C(C1)c(ccc(Cl)c2)c2Cl)N=C1/C=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H15Cl4FN2/c24-15-7-5-14(19(26)11-15)6-9-17-13-23(18-10-8-16(25)12-20(18)27)30(29-17)22-4-2-1-3-21(22)28/h1-12,23H,13H2/t23-/m1/s1 |
| InChIK | ITDMFDKSZTWSTL-HSZRJFAPSA-N |
| TotalMolweight | 480.196 |
| Molweight | 480.196 |
| MonoisotopicMass | 477.997334 |
| CLogP | 8.1968 |
| CLogS | -7.953 |
| H Acceptors | 2 |
| TotalSurfaceArea | 333.34 |
| Relative PSA | 0.045179 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 1.5311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(2-fluorophenyl)-3,4-dihydropyrazole | 2 - 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-(2-fluorophenyl)-3,4-dihydropyrazole
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