5-chloro-2-[(E)-2-thiophen-3-ylethenyl]-1,3-benzoxazole
Formula:C13H8NOClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-chloro-2-[(E)-2-thiophen-3-ylethenyl]-1,3-benzoxazole is a drug-like molecule.
| MolName | 5-chloro-2-[(E)-2-thiophen-3-ylethenyl]-1,3-benzoxazole |
| MolecularFormula | C13H8NOClS |
| Smiles | Clc(cc1)cc2c1oc(/C=C/c1cscc1)n2 |
| InChI | InChI=1S/C13H8ClNOS/c14-10-2-3-12-11(7-10)15-13(16-12)4-1-9-5-6-17-8-9/h1-8H |
| InChIK | VNLREBPLYLXAFE-UHFFFAOYSA-N |
| TotalMolweight | 261.732 |
| Molweight | 261.732 |
| MonoisotopicMass | 261.001511 |
| CLogP | 4.1583 |
| CLogS | -4.517 |
| H Acceptors | 2 |
| TotalSurfaceArea | 193.93 |
| Relative PSA | 0.23431 |
| PolarSurfaceArea | 54.27 |
| Druglikeness | 0.48966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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