(E)-2-cyano-3-(2-fluorophenyl)prop-2-enethioamide
Formula:C10H7N2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-(2-fluorophenyl)prop-2-enethioamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(2-fluorophenyl)prop-2-enethioamide |
| MolecularFormula | C10H7N2FS |
| Smiles | NC(/C(/C#N)=C/c(cccc1)c1F)=S |
| InChI | InChI=1S/C10H7FN2S/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-5H,(H2,13,14) |
| InChIK | DHZVWVHMVGKRJC-UHFFFAOYSA-N |
| TotalMolweight | 206.244 |
| Molweight | 206.244 |
| MonoisotopicMass | 206.031396 |
| CLogP | 1.5019 |
| CLogS | -3.598 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 167.26 |
| Relative PSA | 0.33977 |
| PolarSurfaceArea | 81.9 |
| Druglikeness | -6.5581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; thio-amide/urea |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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