3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
Formula:C23H16N2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole |
| MolecularFormula | C23H16N2Cl4 |
| Smiles | Clc1cc(Cl)c(C(C2)N(c3ccccc3)N=C2/C=C/c(ccc(Cl)c2)c2Cl)cc1 |
| InChI | InChI=1S/C23H16Cl4N2/c24-16-8-6-15(21(26)12-16)7-10-18-14-23(20-11-9-17(25)13-22(20)27)29(28-18)19-4-2-1-3-5-19/h1-13,23H,14H2/t23-/m1/s1 |
| InChIK | NPJXVABPBZWCMC-HSZRJFAPSA-N |
| TotalMolweight | 462.206 |
| Molweight | 462.206 |
| MonoisotopicMass | 460.006756 |
| CLogP | 8.096 |
| CLogS | -7.639 |
| H Acceptors | 2 |
| TotalSurfaceArea | 326.99 |
| Relative PSA | 0.046056 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 2.8711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole | 2 - 3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
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