(Z)-1-(4-bromophenyl)-N-(2,4-dichlorophenoxy)methanimine
Formula:C13H8NOBrCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(Z)-1-(4-bromophenyl)-N-(2,4-dichlorophenoxy)methanimine is not a drug-like molecule.
| MolName | (Z)-1-(4-bromophenyl)-N-(2,4-dichlorophenoxy)methanimine |
| MolecularFormula | C13H8NOBrCl2 |
| Smiles | Clc(cc1)cc(Cl)c1O/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C13H8BrCl2NO/c14-10-3-1-9(2-4-10)8-17-18-13-6-5-11(15)7-12(13)16/h1-8H |
| InChIK | MIOOXEDSNZDRSA-UHFFFAOYSA-N |
| TotalMolweight | 345.023 |
| Molweight | 345.023 |
| MonoisotopicMass | 342.916629 |
| CLogP | 5.6339 |
| CLogS | -6.691 |
| H Acceptors | 2 |
| TotalSurfaceArea | 217.25 |
| Relative PSA | 0.09901 |
| PolarSurfaceArea | 21.59 |
| Druglikeness | -1.8899 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (Z)-1-(4-bromophenyl)-N-(2,4-dichlorophenoxy)methanimine | 2 - (Z)-1-(4-bromophenyl)-N-(2,4-dichlorophenoxy)methanimine
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