1-[(3-bromo-4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
Formula:C19H22N2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-[(3-bromo-4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine is a drug-like molecule.
| MolName | 1-[(3-bromo-4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine |
| MolecularFormula | C19H22N2BrF |
| Smiles | Cc1cc(N2CCN(Cc(cc3)cc(Br)c3F)CC2)c(C)cc1 |
| InChI | InChI=1S/C19H22BrFN2/c1-14-3-4-15(2)19(11-14)23-9-7-22(8-10-23)13-16-5-6-18(21)17(20)12-16/h3-6,11-12H,7-10,13H2,1-2H3 |
| InChIK | FHFXLTACXPBRHZ-UHFFFAOYSA-N |
| TotalMolweight | 377.3 |
| Molweight | 377.3 |
| MonoisotopicMass | 376.095037 |
| CLogP | 4.3699 |
| CLogS | -4.38 |
| H Acceptors | 2 |
| TotalSurfaceArea | 258.42 |
| Relative PSA | 0.027475 |
| PolarSurfaceArea | 6.48 |
| Druglikeness | 2.7547 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(3-bromo-4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine | 2 - 1-[(3-bromo-4-fluorophenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
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