2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
Formula:C19H12NO2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole is not a drug-like molecule.
| MolName | 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole |
| MolecularFormula | C19H12NO2Cl |
| Smiles | Clc(cc1)ccc1-c1ccc(/C=C/c2nc(cccc3)c3o2)o1 |
| InChI | InChI=1S/C19H12ClNO2/c20-14-7-5-13(6-8-14)17-11-9-15(22-17)10-12-19-21-16-3-1-2-4-18(16)23-19/h1-12H |
| InChIK | MMZWILCIMGEHEH-UHFFFAOYSA-N |
| TotalMolweight | 321.762 |
| Molweight | 321.762 |
| MonoisotopicMass | 321.055656 |
| CLogP | 5.3128 |
| CLogS | -6.077 |
| H Acceptors | 3 |
| TotalSurfaceArea | 247.44 |
| Relative PSA | 0.15838 |
| PolarSurfaceArea | 39.17 |
| Druglikeness | 1.178 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole | 2 - 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-1,3-benzoxazole
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