5-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzoxazole
Formula:C19H13NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzoxazole is not a drug-like molecule.
| MolName | 5-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzoxazole |
| MolecularFormula | C19H13NOS |
| Smiles | C(c1cccs1)=C/c1nc(cc(cc2)-c3ccccc3)c2o1 |
| InChI | InChI=1S/C19H13NOS/c1-2-5-14(6-3-1)15-8-10-18-17(13-15)20-19(21-18)11-9-16-7-4-12-22-16/h1-13H |
| InChIK | WSDIMHDZMKWRFU-UHFFFAOYSA-N |
| TotalMolweight | 303.384 |
| Molweight | 303.384 |
| MonoisotopicMass | 303.071784 |
| CLogP | 5.2937 |
| CLogS | -5.977 |
| H Acceptors | 2 |
| TotalSurfaceArea | 238.27 |
| Relative PSA | 0.19071 |
| PolarSurfaceArea | 54.27 |
| Druglikeness | 1.9231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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