(4E)-4-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
Formula:C16H10NO2BrS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(4E)-4-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-thiophen-2-yl-1,3-oxazol-5-one |
| MolecularFormula | C16H10NO2BrS |
| Smiles | O=C1OC(c2cccs2)=N/C1=C/C(/Br)=C/c1ccccc1 |
| InChI | InChI=1S/C16H10BrNO2S/c17-12(9-11-5-2-1-3-6-11)10-13-16(19)20-15(18-13)14-7-4-8-21-14/h1-10H |
| InChIK | MICYNUJPNSFSQM-UHFFFAOYSA-N |
| TotalMolweight | 360.23 |
| Molweight | 360.23 |
| MonoisotopicMass | 358.96156 |
| CLogP | 3.7076 |
| CLogS | -5.074 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.23 |
| Relative PSA | 0.23443 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | -2.7352 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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