N-[(Z)-(2-bromo-5-chloro-1-benzothiophen-3-yl)methylideneamino]-2-(trifluoromethyl)aniline
Formula:C16H9N2BrClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromo-5-chloro-1-benzothiophen-3-yl)methylideneamino]-2-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromo-5-chloro-1-benzothiophen-3-yl)methylideneamino]-2-(trifluoromethyl)aniline |
| MolecularFormula | C16H9N2BrClF3S |
| Smiles | FC(c(cccc1)c1N/N=C\c(c(cc(cc1)Cl)c1s1)c1Br)(F)F |
| InChI | InChI=1S/C16H9BrClF3N2S/c17-15-11(10-7-9(18)5-6-14(10)24-15)8-22-23-13-4-2-1-3-12(13)16(19,20)21/h1-8,23H |
| InChIK | JZHDMDYXIVMXRY-UHFFFAOYSA-N |
| TotalMolweight | 433.678 |
| Molweight | 433.678 |
| MonoisotopicMass | 431.93104 |
| CLogP | 8.0641 |
| CLogS | -6.753 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 263.29 |
| Relative PSA | 0.16457 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | -7.6176 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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