(E)-3-(4-fluorophenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide
Formula:C15H12N3O2FS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(4-fluorophenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]prop-2-enamide |
| MolecularFormula | C15H12N3O2FS2 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NC(NNC(c1cccs1)=O)=S |
| InChI | InChI=1S/C15H12FN3O2S2/c16-11-6-3-10(4-7-11)5-8-13(20)17-15(22)19-18-14(21)12-2-1-9-23-12/h1-9H,(H,18,21)(H2,17,19,20,22) |
| InChIK | KJHVXBPWWXKJHD-UHFFFAOYSA-N |
| TotalMolweight | 349.409 |
| Molweight | 349.409 |
| MonoisotopicMass | 349.035495 |
| CLogP | 2.0966 |
| CLogS | -4.549 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 264.4 |
| Relative PSA | 0.41157 |
| PolarSurfaceArea | 130.56 |
| Druglikeness | 1.8177 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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