3-(4-bromophenyl)-5-[(E)-2-(4-bromophenyl)ethenyl]-2-(3-fluorophenyl)-3,4-dihydropyrazole
Formula:C23H17N2Br2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-5-[(E)-2-(4-bromophenyl)ethenyl]-2-(3-fluorophenyl)-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 3-(4-bromophenyl)-5-[(E)-2-(4-bromophenyl)ethenyl]-2-(3-fluorophenyl)-3,4-dihydropyrazole |
| MolecularFormula | C23H17N2Br2F |
| Smiles | Fc1cccc(N(C(C2)c(cc3)ccc3Br)N=C2/C=C/c(cc2)ccc2Br)c1 |
| InChI | InChI=1S/C23H17Br2FN2/c24-18-9-4-16(5-10-18)6-13-21-15-23(17-7-11-19(25)12-8-17)28(27-21)22-3-1-2-20(26)14-22/h1-14,23H,15H2/t23-/m1/s1 |
| InChIK | XTCIIXCPKGFIJN-HSZRJFAPSA-N |
| TotalMolweight | 500.208 |
| Molweight | 500.208 |
| MonoisotopicMass | 497.974248 |
| CLogP | 7.2232 |
| CLogS | -6.677 |
| H Acceptors | 2 |
| TotalSurfaceArea | 308.92 |
| Relative PSA | 0.04875 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -0.29008 |
| 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 - 3-(4-bromophenyl)-5-[(E)-2-(4-bromophenyl)ethenyl]-2-(3-fluorophenyl)-3,4-dihydropyrazole | 2 - 3-(4-bromophenyl)-5-[(E)-2-(4-bromophenyl)ethenyl]-2-(3-fluorophenyl)-3,4-dihydropyrazole
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