(Z)-2-(4-chlorophenyl)sulfanyl-3-phenylprop-2-enal
Formula:C15H11OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(4-chlorophenyl)sulfanyl-3-phenylprop-2-enal is a drug-like molecule.
| MolName | (Z)-2-(4-chlorophenyl)sulfanyl-3-phenylprop-2-enal |
| MolecularFormula | C15H11OClS |
| Smiles | O=C/C(/Sc(cc1)ccc1Cl)=C/c1ccccc1 |
| InChI | InChI=1S/C15H11ClOS/c16-13-6-8-14(9-7-13)18-15(11-17)10-12-4-2-1-3-5-12/h1-11H |
| InChIK | SELDECTZQWVRBQ-UHFFFAOYSA-N |
| TotalMolweight | 274.77 |
| Molweight | 274.77 |
| MonoisotopicMass | 274.021912 |
| CLogP | 4.1061 |
| CLogS | -4.97 |
| H Acceptors | 1 |
| TotalSurfaceArea | 210.18 |
| Relative PSA | 0.14526 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | -1.5086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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