(E)-3-[4-(3-fluoropropoxy)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
Formula:C17H18NO2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(3-fluoropropoxy)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[4-(3-fluoropropoxy)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C17H18NO2FS |
| Smiles | O=C(/C=C/c(cc1)ccc1OCCCF)NCc1cccs1 |
| InChI | InChI=1S/C17H18FNO2S/c18-10-2-11-21-15-7-4-14(5-8-15)6-9-17(20)19-13-16-3-1-12-22-16/h1,3-9,12H,2,10-11,13H2,(H,19,20) |
| InChIK | XLMATYIQCVWDOK-UHFFFAOYSA-N |
| TotalMolweight | 319.399 |
| Molweight | 319.399 |
| MonoisotopicMass | 319.104227 |
| CLogP | 3.2774 |
| CLogS | -3.987 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 256.06 |
| Relative PSA | 0.21425 |
| PolarSurfaceArea | 66.57 |
| Druglikeness | 0.36692 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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