(Z)-3-(3-fluoroanilino)-1-thiophen-2-ylprop-2-en-1-one
Formula:C13H10NOFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(3-fluoroanilino)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(3-fluoroanilino)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H10NOFS |
| Smiles | O=C(/C=C\Nc1cc(F)ccc1)c1cccs1 |
| InChI | InChI=1S/C13H10FNOS/c14-10-3-1-4-11(9-10)15-7-6-12(16)13-5-2-8-17-13/h1-9,15H |
| InChIK | YGVAVKISCMUVEJ-UHFFFAOYSA-N |
| TotalMolweight | 247.292 |
| Molweight | 247.292 |
| MonoisotopicMass | 247.046712 |
| CLogP | 2.4419 |
| CLogS | -4.11 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 191.02 |
| Relative PSA | 0.23484 |
| PolarSurfaceArea | 57.34 |
| Druglikeness | 1.7426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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