N-[(Z)-(2-bromo-5-chloro-1-benzothiophen-3-yl)methylideneamino]-2,4,6-trichloroaniline
Formula:C15H7N2BrCl4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2-bromo-5-chloro-1-benzothiophen-3-yl)methylideneamino]-2,4,6-trichloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromo-5-chloro-1-benzothiophen-3-yl)methylideneamino]-2,4,6-trichloroaniline |
| MolecularFormula | C15H7N2BrCl4S |
| Smiles | Clc(cc1)cc2c1sc(Br)c2/C=N\Nc(c(Cl)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H7BrCl4N2S/c16-15-10(9-3-7(17)1-2-13(9)23-15)6-21-22-14-11(19)4-8(18)5-12(14)20/h1-6,22H |
| InChIK | RSGUWPLXOCCHMN-UHFFFAOYSA-N |
| TotalMolweight | 469.017 |
| Molweight | 469.017 |
| MonoisotopicMass | 465.826737 |
| CLogP | 9.0338 |
| CLogS | -8.183 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 280.09 |
| Relative PSA | 0.1547 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | -0.42764 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-(2-bromo-5-chloro-1-benzothiophen-3-yl)methylideneamino]-2,4,6-trichloroaniline | 2 - N-[(Z)-(2-bromo-5-chloro-1-benzothiophen-3-yl)methylideneamino]-2,4,6-trichloroaniline
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