(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
Formula:C16H9NO2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C16H9NO2Cl2S |
| Smiles | O=C1OC(/C=C/c2cccc(Cl)c2Cl)=N/C1=C\c1cccs1 |
| InChI | InChI=1S/C16H9Cl2NO2S/c17-12-5-1-3-10(15(12)18)6-7-14-19-13(16(20)21-14)9-11-4-2-8-22-11/h1-9H |
| InChIK | RVRVFLRIUKLUJO-UHFFFAOYSA-N |
| TotalMolweight | 350.224 |
| Molweight | 350.224 |
| MonoisotopicMass | 348.973103 |
| CLogP | 4.0249 |
| CLogS | -5.771 |
| H Acceptors | 3 |
| TotalSurfaceArea | 248.23 |
| Relative PSA | 0.22121 |
| PolarSurfaceArea | 66.9 |
| Druglikeness | 2.76 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one | 2 - (4Z)-2-[(E)-2-(2,3-dichlorophenyl)ethenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
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