(Z)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-phenylprop-2-enenitrile
Formula:C19H12NClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-phenylprop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]-2-phenylprop-2-enenitrile |
| MolecularFormula | C19H12NClS2 |
| Smiles | N#C/C(/c1ccccc1)=C\c1ccc(Sc(cc2)ccc2Cl)s1 |
| InChI | InChI=1S/C19H12ClNS2/c20-16-6-8-17(9-7-16)22-19-11-10-18(23-19)12-15(13-21)14-4-2-1-3-5-14/h1-12H |
| InChIK | OBIRDEQYBITKKP-UHFFFAOYSA-N |
| TotalMolweight | 353.896 |
| Molweight | 353.896 |
| MonoisotopicMass | 353.009966 |
| CLogP | 5.831 |
| CLogS | -6.178 |
| H Acceptors | 1 |
| TotalSurfaceArea | 268.05 |
| Relative PSA | 0.19179 |
| PolarSurfaceArea | 77.33 |
| Druglikeness | -3.3358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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