(E)-1-(4-chlorophenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylprop-2-en-1-one
Formula:C15H9NOClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylprop-2-en-1-one |
| MolecularFormula | C15H9NOClF3S |
| Smiles | O=C(/C=C/Sc1ncc(C(F)(F)F)cc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H9ClF3NOS/c16-12-4-1-10(2-5-12)13(21)7-8-22-14-6-3-11(9-20-14)15(17,18)19/h1-9H |
| InChIK | WFMUVLVAVBQMMS-UHFFFAOYSA-N |
| TotalMolweight | 343.755 |
| Molweight | 343.755 |
| MonoisotopicMass | 343.004545 |
| CLogP | 3.9011 |
| CLogS | -4.71 |
| H Acceptors | 2 |
| TotalSurfaceArea | 238.4 |
| Relative PSA | 0.17408 |
| PolarSurfaceArea | 55.26 |
| Druglikeness | -6.6075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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