N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-N-[(2-chloro-6-fluorophenyl)methyl]aniline
Formula:C18H13N2BrClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-N-[(2-chloro-6-fluorophenyl)methyl]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-N-[(2-chloro-6-fluorophenyl)methyl]aniline |
| MolecularFormula | C18H13N2BrClFS |
| Smiles | Fc1cccc(Cl)c1CN(c1ccccc1)/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C18H13BrClFN2S/c19-13-9-15(24-12-13)10-22-23(14-5-2-1-3-6-14)11-16-17(20)7-4-8-18(16)21/h1-10,12H,11H2 |
| InChIK | JWVPFUSRQAZQNZ-UHFFFAOYSA-N |
| TotalMolweight | 423.736 |
| Molweight | 423.736 |
| MonoisotopicMass | 421.965534 |
| CLogP | 6.2704 |
| CLogS | -6.196 |
| H Acceptors | 2 |
| TotalSurfaceArea | 277.94 |
| Relative PSA | 0.12744 |
| PolarSurfaceArea | 43.84 |
| Druglikeness | -1.6945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-N-[(2-chloro-6-fluorophenyl)methyl]aniline | 2 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-N-[(2-chloro-6-fluorophenyl)methyl]aniline
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