2,4,6-trichloro-N-[(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]aniline
Formula:C14H11N2OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]aniline |
| MolecularFormula | C14H11N2OCl3 |
| Smiles | Clc(cc1Cl)cc(Cl)c1N/N=C(\CCC1)/c2c1occ2 |
| InChI | InChI=1S/C14H11Cl3N2O/c15-8-6-10(16)14(11(17)7-8)19-18-12-2-1-3-13-9(12)4-5-20-13/h4-7,19H,1-3H2 |
| InChIK | IOILGEDOXXQBPG-UHFFFAOYSA-N |
| TotalMolweight | 329.613 |
| Molweight | 329.613 |
| MonoisotopicMass | 327.993694 |
| CLogP | 6.5203 |
| CLogS | -5.988 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.18 |
| Relative PSA | 0.16039 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | -1.4562 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2,4,6-trichloro-N-[(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(E)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]aniline
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