N-[(Z)-[2,3,5,6-tetrachloro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline
Formula:C20H14N4Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2,3,5,6-tetrachloro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[2,3,5,6-tetrachloro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline |
| MolecularFormula | C20H14N4Cl4 |
| Smiles | Clc(c(Cl)c1/C=N\Nc2ccccc2)c(/C=N\Nc2ccccc2)c(Cl)c1Cl |
| InChI | InChI=1S/C20H14Cl4N4/c21-17-15(11-25-27-13-7-3-1-4-8-13)18(22)20(24)16(19(17)23)12-26-28-14-9-5-2-6-10-14/h1-12,27-28H |
| InChIK | WEONFQPMSITWDF-UHFFFAOYSA-N |
| TotalMolweight | 452.171 |
| Molweight | 452.171 |
| MonoisotopicMass | 449.997254 |
| CLogP | 10.446 |
| CLogS | -7.626 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 326.9 |
| Relative PSA | 0.14053 |
| PolarSurfaceArea | 48.78 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 18 |
| StereoCon |
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1 - N-[(Z)-[2,3,5,6-tetrachloro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline | 2 - N-[(Z)-[2,3,5,6-tetrachloro-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl]methylideneamino]aniline
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