(E)-N-[(2-fluorophenyl)carbamothioyl]-3-phenylprop-2-enamide
Formula:C16H13N2OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(2-fluorophenyl)carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(2-fluorophenyl)carbamothioyl]-3-phenylprop-2-enamide |
| MolecularFormula | C16H13N2OFS |
| Smiles | O=C(/C=C/c1ccccc1)NC(Nc(cccc1)c1F)=S |
| InChI | InChI=1S/C16H13FN2OS/c17-13-8-4-5-9-14(13)18-16(21)19-15(20)11-10-12-6-2-1-3-7-12/h1-11H,(H2,18,19,20,21) |
| InChIK | RZASLFNSEJLWJO-UHFFFAOYSA-N |
| TotalMolweight | 300.356 |
| Molweight | 300.356 |
| MonoisotopicMass | 300.073261 |
| CLogP | 3.4195 |
| CLogS | -4.357 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 239.25 |
| Relative PSA | 0.26734 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | -1.8983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(2-fluorophenyl)carbamothioyl]-3-phenylprop-2-enamide | 2 - (E)-N-[(2-fluorophenyl)carbamothioyl]-3-phenylprop-2-enamide
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