4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholin-4-ium
Formula:C19H25N2OF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholin-4-ium is a drug-like molecule.
| MolName | 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholin-4-ium |
| MolecularFormula | C19H25N2OF4 |
| Smiles | Fc(c(F)c1N2CCCCCC2)c(/C=C/C[NH+]2CCOCC2)c(F)c1F |
| InChI | InChI=1S/C19H24F4N2O/c20-15-14(6-5-7-24-10-12-26-13-11-24)16(21)18(23)19(17(15)22)25-8-3-1-2-4-9-25/h5-6H,1-4,7-13H2/p+1 |
| InChIK | HLCWDSCDVKKBSJ-UHFFFAOYSA-O |
| TotalMolweight | 373.413 |
| Molweight | 373.413 |
| MonoisotopicMass | 373.1903 |
| CLogP | 1.4812 |
| CLogS | -4.232 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 294.16 |
| Relative PSA | 0.10586 |
| PolarSurfaceArea | 16.91 |
| Druglikeness | -5.5935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 9 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholin-4-ium | 2 - 4-[(E)-3-[4-(azepan-1-yl)-2,3,5,6-tetrafluorophenyl]prop-2-enyl]morpholin-4-ium
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