(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
Formula:C15H8NO4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one |
| MolecularFormula | C15H8NO4ClS |
| Smiles | O=C1OC(c2cccs2)=N/C1=C\c(cc1OCOc1c1)c1Cl |
| InChI | InChI=1S/C15H8ClNO4S/c16-9-6-12-11(19-7-20-12)5-8(9)4-10-15(18)21-14(17-10)13-2-1-3-22-13/h1-6H,7H2 |
| InChIK | XCCGSRHUMMDKSV-UHFFFAOYSA-N |
| TotalMolweight | 333.751 |
| Molweight | 333.751 |
| MonoisotopicMass | 332.986256 |
| CLogP | 3.1758 |
| CLogS | -5.376 |
| H Acceptors | 5 |
| TotalSurfaceArea | 226.57 |
| Relative PSA | 0.33063 |
| PolarSurfaceArea | 85.36 |
| Druglikeness | 2.705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one | 2 - (4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
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