N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,4,6-trichloroaniline
Formula:C15H10N2BrCl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,4,6-trichloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,4,6-trichloroaniline |
| MolecularFormula | C15H10N2BrCl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C15H10BrCl3N2/c16-11(6-10-4-2-1-3-5-10)9-20-21-15-13(18)7-12(17)8-14(15)19/h1-9,21H |
| InChIK | IONQXZSFGJLZSZ-UHFFFAOYSA-N |
| TotalMolweight | 404.521 |
| Molweight | 404.521 |
| MonoisotopicMass | 401.90929 |
| CLogP | 7.2698 |
| CLogS | -6.482 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 258.84 |
| Relative PSA | 0.088742 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -2.791 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,4,6-trichloroaniline | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2,4,6-trichloroaniline
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