(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylprop-2-en-1-one
Formula:C15H10OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylprop-2-en-1-one |
| MolecularFormula | C15H10OCl2S |
| Smiles | O=C(/C=C/Sc(cc1)ccc1Cl)c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H10Cl2OS/c16-12-3-1-11(2-4-12)15(18)9-10-19-14-7-5-13(17)6-8-14/h1-10H |
| InChIK | GKRVHWMNNURUFH-UHFFFAOYSA-N |
| TotalMolweight | 309.215 |
| Molweight | 309.215 |
| MonoisotopicMass | 307.982939 |
| CLogP | 4.5623 |
| CLogS | -5.7 |
| H Acceptors | 1 |
| TotalSurfaceArea | 225.6 |
| Relative PSA | 0.13533 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 0.4153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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