N-[(E)-1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
Formula:C23H15N2BrF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(E)-1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline |
| MolecularFormula | C23H15N2BrF6 |
| Smiles | FC(c(cc1)ccc1N/C(/c(cc1)ccc1Br)=C/C=N/c1ccc(C(F)(F)F)cc1)(F)F |
| InChI | InChI=1S/C23H15BrF6N2/c24-18-7-1-15(2-8-18)21(32-20-11-5-17(6-12-20)23(28,29)30)13-14-31-19-9-3-16(4-10-19)22(25,26)27/h1-14,32H |
| InChIK | SYNMRWNNTMNUCR-UHFFFAOYSA-N |
| TotalMolweight | 513.278 |
| Molweight | 513.278 |
| MonoisotopicMass | 512.032277 |
| CLogP | 6.4308 |
| CLogS | -6.872 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 331.26 |
| Relative PSA | 0.069341 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -7.8718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - N-[(E)-1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline | 2 - N-[(E)-1-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
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