2-(3-bromophenyl)-3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3,4-dihydropyrazole
Formula:C23H15N2BrCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenyl)-3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-(3-bromophenyl)-3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C23H15N2BrCl4 |
| Smiles | Clc1cc(Cl)c(C(C2)N(c3cccc(Br)c3)N=C2/C=C/c(ccc(Cl)c2)c2Cl)cc1 |
| InChI | InChI=1S/C23H15BrCl4N2/c24-15-2-1-3-19(10-15)30-23(20-9-7-17(26)12-22(20)28)13-18(29-30)8-5-14-4-6-16(25)11-21(14)27/h1-12,23H,13H2/t23-/m0/s1 |
| InChIK | OFCHLBRNNXCUHQ-QHCPKHFHSA-N |
| TotalMolweight | 541.102 |
| Molweight | 541.102 |
| MonoisotopicMass | 537.917267 |
| CLogP | 8.8212 |
| CLogS | -8.473 |
| H Acceptors | 2 |
| TotalSurfaceArea | 345.62 |
| Relative PSA | 0.043574 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 1.0811 |
| 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 | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(3-bromophenyl)-3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3,4-dihydropyrazole | 2 - 2-(3-bromophenyl)-3-(2,4-dichlorophenyl)-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3,4-dihydropyrazole
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