(Z)-2-(5-chloro-1-benzothiophen-3-yl)-3-thiophen-2-ylprop-2-enenitrile
Formula:C15H8NClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(5-chloro-1-benzothiophen-3-yl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(5-chloro-1-benzothiophen-3-yl)-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C15H8NClS2 |
| Smiles | N#C/C(/c1csc(cc2)c1cc2Cl)=C\c1cccs1 |
| InChI | InChI=1S/C15H8ClNS2/c16-11-3-4-15-13(7-11)14(9-19-15)10(8-17)6-12-2-1-5-18-12/h1-7,9H |
| InChIK | OLOMCAFDZVJVHP-UHFFFAOYSA-N |
| TotalMolweight | 301.821 |
| Molweight | 301.821 |
| MonoisotopicMass | 300.978666 |
| CLogP | 4.6442 |
| CLogS | -5.614 |
| H Acceptors | 1 |
| TotalSurfaceArea | 221.34 |
| Relative PSA | 0.24523 |
| PolarSurfaceArea | 80.27 |
| Druglikeness | -2.4129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| StereoCon |
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