1-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
Formula:C19H22N2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium is a drug-like molecule.
| MolName | 1-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium |
| MolecularFormula | C19H22N2F |
| Smiles | Fc(cccc1)c1N1CC[NH+](C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C19H21FN2/c20-18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/p+1 |
| InChIK | WCXGEYWLFOPIDP-UHFFFAOYSA-O |
| TotalMolweight | 297.396 |
| Molweight | 297.396 |
| MonoisotopicMass | 297.176701 |
| CLogP | 1.6084 |
| CLogS | -3.375 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 255.81 |
| Relative PSA | 0.082639 |
| PolarSurfaceArea | 7.68 |
| Druglikeness | 0.26044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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