(E)-N-[(carbamothioylamino)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Formula:C11H11N4OFS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(carbamothioylamino)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(carbamothioylamino)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C11H11N4OFS2 |
| Smiles | NC(NNC(NC(/C=C/c(cc1)ccc1F)=O)=S)=S |
| InChI | InChI=1S/C11H11FN4OS2/c12-8-4-1-7(2-5-8)3-6-9(17)14-11(19)16-15-10(13)18/h1-6H,(H3,13,15,18)(H2,14,16,17,19) |
| InChIK | JIHSHHSFNJRPTO-UHFFFAOYSA-N |
| TotalMolweight | 298.365 |
| Molweight | 298.365 |
| MonoisotopicMass | 298.035829 |
| CLogP | 0.5604 |
| CLogS | -3.716 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 232.18 |
| Relative PSA | 0.5112 |
| PolarSurfaceArea | 143.36 |
| Druglikeness | -0.68589 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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