2-(5-nitro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
Formula:C14H7N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-nitro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole is a drug-like molecule.
| MolName | 2-(5-nitro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole |
| MolecularFormula | C14H7N3O3S2 |
| Smiles | [O-][N+](c(cc1)cc2c1sc(-c1nnc(-c3cccs3)o1)c2)=O |
| InChI | InChI=1S/C14H7N3O3S2/c18-17(19)9-3-4-10-8(6-9)7-12(22-10)14-16-15-13(20-14)11-2-1-5-21-11/h1-7H |
| InChIK | YMWUDZIGXXUDBL-UHFFFAOYSA-N |
| TotalMolweight | 329.36 |
| Molweight | 329.36 |
| MonoisotopicMass | 328.992882 |
| CLogP | 3.3077 |
| CLogS | -7.131 |
| H Acceptors | 6 |
| TotalSurfaceArea | 230.14 |
| Relative PSA | 0.46576 |
| PolarSurfaceArea | 141.22 |
| Druglikeness | -2.5415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(5-nitro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole | 2 - 2-(5-nitro-1-benzothiophen-2-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
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