2,4,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]aniline
Formula:C17H11N2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]aniline |
| MolecularFormula | C17H11N2Cl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C17H11Cl3N2/c18-13-8-15(19)17(16(20)9-13)22-21-10-12-6-3-5-11-4-1-2-7-14(11)12/h1-10,22H |
| InChIK | NUGXHISMOPQNKH-UHFFFAOYSA-N |
| TotalMolweight | 349.647 |
| Molweight | 349.647 |
| MonoisotopicMass | 347.998779 |
| CLogP | 7.8533 |
| CLogS | -6.963 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 250.1 |
| Relative PSA | 0.091843 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2,4,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]aniline
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