(E)-3-[4-(difluoromethylsulfanyl)phenyl]prop-2-enoic acid
Formula:C10H8O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(difluoromethylsulfanyl)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-(difluoromethylsulfanyl)phenyl]prop-2-enoic acid |
| MolecularFormula | C10H8O2F2S |
| Smiles | OC(/C=C/c(cc1)ccc1SC(F)F)=O |
| InChI | InChI=1S/C10H8F2O2S/c11-10(12)15-8-4-1-7(2-5-8)3-6-9(13)14/h1-6,10H,(H,13,14) |
| InChIK | DSSGXNUPXGFLHD-UHFFFAOYSA-N |
| TotalMolweight | 230.234 |
| Molweight | 230.234 |
| MonoisotopicMass | 230.021306 |
| CLogP | 3.3688 |
| CLogS | -3.468 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 166.55 |
| Relative PSA | 0.26196 |
| PolarSurfaceArea | 62.6 |
| Druglikeness | -2.4025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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