2-(3-bromophenyl)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-dihydropyrazole
Formula:C23H17N2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenyl)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-(3-bromophenyl)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C23H17N2BrCl2 |
| Smiles | Clc1ccc(C(C2)N(c3cccc(Br)c3)N=C2/C=C/c(cc2)ccc2Cl)cc1 |
| InChI | InChI=1S/C23H17BrCl2N2/c24-18-2-1-3-22(14-18)28-23(17-7-11-20(26)12-8-17)15-21(27-28)13-6-16-4-9-19(25)10-5-16/h1-14,23H,15H2/t23-/m0/s1 |
| InChIK | HWHKRSNLQKZYEI-QHCPKHFHSA-N |
| TotalMolweight | 472.212 |
| Molweight | 472.212 |
| MonoisotopicMass | 469.995213 |
| CLogP | 7.6092 |
| CLogS | -7.001 |
| H Acceptors | 2 |
| TotalSurfaceArea | 314.78 |
| Relative PSA | 0.047843 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 1.0811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 2-(3-bromophenyl)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-dihydropyrazole | 2 - 2-(3-bromophenyl)-3-(4-chlorophenyl)-5-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-dihydropyrazole
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