2,4,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
Formula:C15H11N2Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline |
| MolecularFormula | C15H11N2Cl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C15H11Cl3N2/c16-12-9-13(17)15(14(18)10-12)20-19-8-4-7-11-5-2-1-3-6-11/h1-10,20H |
| InChIK | BZUYLVMDQXNSMP-UHFFFAOYSA-N |
| TotalMolweight | 325.625 |
| Molweight | 325.625 |
| MonoisotopicMass | 323.998779 |
| CLogP | 6.6772 |
| CLogS | -5.649 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 242 |
| Relative PSA | 0.094917 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.3011 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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 - 2,4,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
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