(E)-3-(2-chloro-6-fluorophenyl)-N-cycloheptylprop-2-enamide
Formula:C16H19NOClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-cycloheptylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-cycloheptylprop-2-enamide |
| MolecularFormula | C16H19NOClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)NC1CCCCCC1 |
| InChI | InChI=1S/C16H19ClFNO/c17-14-8-5-9-15(18)13(14)10-11-16(20)19-12-6-3-1-2-4-7-12/h5,8-12H,1-4,6-7H2,(H,19,20) |
| InChIK | COCHBKNETSXOFH-UHFFFAOYSA-N |
| TotalMolweight | 295.784 |
| Molweight | 295.784 |
| MonoisotopicMass | 295.113919 |
| CLogP | 4.0321 |
| CLogS | -4.885 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 232.3 |
| Relative PSA | 0.10547 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -5.4527 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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