2-[(E)-2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
Formula:C19H11NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(E)-2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole is not a drug-like molecule.
| MolName | 2-[(E)-2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole |
| MolecularFormula | C19H11NO2Cl2 |
| Smiles | Clc(cc1)cc(-c2ccc(/C=C/c3nc(cccc4)c4o3)o2)c1Cl |
| InChI | InChI=1S/C19H11Cl2NO2/c20-12-5-8-15(21)14(11-12)17-9-6-13(23-17)7-10-19-22-16-3-1-2-4-18(16)24-19/h1-11H |
| InChIK | HADCCLJVHKSBPQ-UHFFFAOYSA-N |
| TotalMolweight | 356.207 |
| Molweight | 356.207 |
| MonoisotopicMass | 355.016683 |
| CLogP | 5.9188 |
| CLogS | -6.813 |
| H Acceptors | 3 |
| TotalSurfaceArea | 262.86 |
| Relative PSA | 0.14909 |
| PolarSurfaceArea | 39.17 |
| Druglikeness | 1.178 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole | 2 - 2-[(E)-2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
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