(E)-3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
Formula:C12H11NOClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide |
| MolecularFormula | C12H11NOClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)NC1CC1 |
| InChI | InChI=1S/C12H11ClFNO/c13-10-2-1-3-11(14)9(10)6-7-12(16)15-8-4-5-8/h1-3,6-8H,4-5H2,(H,15,16) |
| InChIK | YMWVXQJCBXVRRT-UHFFFAOYSA-N |
| TotalMolweight | 239.676 |
| Molweight | 239.676 |
| MonoisotopicMass | 239.051319 |
| CLogP | 2.6641 |
| CLogS | -3.805 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 177.26 |
| Relative PSA | 0.13822 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.37738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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