(E)-N-cycloheptyl-3-(4-fluorophenyl)prop-2-enamide
Formula:C16H20NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cycloheptyl-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cycloheptyl-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C16H20NOF |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NC1CCCCCC1 |
| InChI | InChI=1S/C16H20FNO/c17-14-10-7-13(8-11-14)9-12-16(19)18-15-5-3-1-2-4-6-15/h7-12,15H,1-6H2,(H,18,19) |
| InChIK | FAZIDNXOAMEPNT-UHFFFAOYSA-N |
| TotalMolweight | 261.339 |
| Molweight | 261.339 |
| MonoisotopicMass | 261.152892 |
| CLogP | 3.4261 |
| CLogS | -4.149 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 216.88 |
| Relative PSA | 0.11297 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -5.5161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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