(E)-3-(2-chloro-6-fluorophenyl)-N-cyclooctylprop-2-enamide
Formula:C17H21NOClF
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-cyclooctylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-cyclooctylprop-2-enamide |
| MolecularFormula | C17H21NOClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)NC1CCCCCCC1 |
| InChI | InChI=1S/C17H21ClFNO/c18-15-9-6-10-16(19)14(15)11-12-17(21)20-13-7-4-2-1-3-5-8-13/h6,9-13H,1-5,7-8H2,(H,20,21) |
| InChIK | ANVKUNCLDPPAKW-UHFFFAOYSA-N |
| TotalMolweight | 309.811 |
| Molweight | 309.811 |
| MonoisotopicMass | 309.129569 |
| CLogP | 5.1036 |
| CLogS | -5.155 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 246.06 |
| Relative PSA | 0.099569 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -5.6355 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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