(E)-1-(4-phenylsulfanylphenyl)-3-thiophen-2-ylprop-2-en-1-one
Formula:C19H14OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-phenylsulfanylphenyl)-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-phenylsulfanylphenyl)-3-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C19H14OS2 |
| Smiles | O=C(/C=C/c1cccs1)c(cc1)ccc1Sc1ccccc1 |
| InChI | InChI=1S/C19H14OS2/c20-19(13-12-16-7-4-14-21-16)15-8-10-18(11-9-15)22-17-5-2-1-3-6-17/h1-14H |
| InChIK | MCXVIWNDSYVMSR-UHFFFAOYSA-N |
| TotalMolweight | 322.451 |
| Molweight | 322.451 |
| MonoisotopicMass | 322.048605 |
| CLogP | 4.9915 |
| CLogS | -5.636 |
| H Acceptors | 1 |
| TotalSurfaceArea | 250.46 |
| Relative PSA | 0.20319 |
| PolarSurfaceArea | 70.61 |
| Druglikeness | 2.4489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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