N-[(Z)-(4-bromophenyl)methylideneamino]-2,4,6-trichloroaniline
Formula:C13H8N2BrCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4-bromophenyl)methylideneamino]-2,4,6-trichloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2,4,6-trichloroaniline |
| MolecularFormula | C13H8N2BrCl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C13H8BrCl3N2/c14-9-3-1-8(2-4-9)7-18-19-13-11(16)5-10(15)6-12(13)17/h1-7,19H |
| InChIK | SQKBGRKAPCCBOF-UHFFFAOYSA-N |
| TotalMolweight | 378.484 |
| Molweight | 378.484 |
| MonoisotopicMass | 375.89364 |
| CLogP | 7.3841 |
| CLogS | -6.191 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 234.13 |
| Relative PSA | 0.098108 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 0.59454 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2,4,6-trichloroaniline | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2,4,6-trichloroaniline
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