2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-1,3-benzoxazole
Formula:C21H14NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-1,3-benzoxazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-1,3-benzoxazole |
| MolecularFormula | C21H14NOCl |
| Smiles | Clc1ccc(/C=C/c2nc(cc(cc3)-c4ccccc4)c3o2)cc1 |
| InChI | InChI=1S/C21H14ClNO/c22-18-10-6-15(7-11-18)8-13-21-23-19-14-17(9-12-20(19)24-21)16-4-2-1-3-5-16/h1-14H |
| InChIK | FVCCMTQMKVHVGQ-UHFFFAOYSA-N |
| TotalMolweight | 331.801 |
| Molweight | 331.801 |
| MonoisotopicMass | 331.076391 |
| CLogP | 6.0331 |
| CLogS | -6.703 |
| H Acceptors | 2 |
| TotalSurfaceArea | 257.75 |
| Relative PSA | 0.097304 |
| PolarSurfaceArea | 26.03 |
| Druglikeness | -0.45224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-1,3-benzoxazole | 2 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-1,3-benzoxazole
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