(E)-N-(1-adamantyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
Formula:C19H21NOClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-adamantyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide |
| MolecularFormula | C19H21NOClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)NC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C19H21ClFNO/c20-16-2-1-3-17(21)15(16)4-5-18(23)22-19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2,(H,22,23) |
| InChIK | YIWYQNGNEPPECO-UHFFFAOYSA-N |
| TotalMolweight | 333.833 |
| Molweight | 333.833 |
| MonoisotopicMass | 333.129569 |
| CLogP | 4.2096 |
| CLogS | -5.376 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 240.71 |
| Relative PSA | 0.10178 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.38352 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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