2,4,6-trichloro-N-[(Z)-quinoxalin-5-ylmethylideneamino]aniline
Formula:C15H9N4Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-quinoxalin-5-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-quinoxalin-5-ylmethylideneamino]aniline |
| MolecularFormula | C15H9N4Cl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C\c1cccc2nccnc12 |
| InChI | InChI=1S/C15H9Cl3N4/c16-10-6-11(17)15(12(18)7-10)22-21-8-9-2-1-3-13-14(9)20-5-4-19-13/h1-8,22H |
| InChIK | OSMWFLRBMXDBKG-UHFFFAOYSA-N |
| TotalMolweight | 351.623 |
| Molweight | 351.623 |
| MonoisotopicMass | 349.989277 |
| CLogP | 6.0965 |
| CLogS | -5.163 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.62 |
| Relative PSA | 0.18137 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2,4,6-trichloro-N-[(Z)-quinoxalin-5-ylmethylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-quinoxalin-5-ylmethylideneamino]aniline
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