3-chloro-2-[(E)-2-[4-[(E)-2-(3-chloro-1-benzofuran-2-yl)ethenyl]phenyl]ethenyl]-1-benzofuran
Formula:C26H16O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-2-[(E)-2-[4-[(E)-2-(3-chloro-1-benzofuran-2-yl)ethenyl]phenyl]ethenyl]-1-benzofuran is not a drug-like molecule.
| MolName | 3-chloro-2-[(E)-2-[4-[(E)-2-(3-chloro-1-benzofuran-2-yl)ethenyl]phenyl]ethenyl]-1-benzofuran |
| MolecularFormula | C26H16O2Cl2 |
| Smiles | Clc1c(/C=C/c2ccc(/C=C/c(oc3c4cccc3)c4Cl)cc2)oc2c1cccc2 |
| InChI | InChI=1S/C26H16Cl2O2/c27-25-19-5-1-3-7-21(19)29-23(25)15-13-17-9-11-18(12-10-17)14-16-24-26(28)20-6-2-4-8-22(20)30-24/h1-16H |
| InChIK | LTTFNTMBXHCDSH-UHFFFAOYSA-N |
| TotalMolweight | 431.317 |
| Molweight | 431.317 |
| MonoisotopicMass | 430.052734 |
| CLogP | 8.2968 |
| CLogS | -9.726 |
| H Acceptors | 2 |
| TotalSurfaceArea | 325.2 |
| Relative PSA | 0.086777 |
| PolarSurfaceArea | 26.28 |
| Druglikeness | -1.0642 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - 3-chloro-2-[(E)-2-[4-[(E)-2-(3-chloro-1-benzofuran-2-yl)ethenyl]phenyl]ethenyl]-1-benzofuran | 2 - 3-chloro-2-[(E)-2-[4-[(E)-2-(3-chloro-1-benzofuran-2-yl)ethenyl]phenyl]ethenyl]-1-benzofuran
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