(Z)-1-(2-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine
Formula:C16H18N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(2-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine |
| MolecularFormula | C16H18N4F |
| Smiles | Fc1c(/C=N\N(CC2)CCN2c2[nH+]cccc2)cccc1 |
| InChI | InChI=1S/C16H17FN4/c17-15-6-2-1-5-14(15)13-19-21-11-9-20(10-12-21)16-7-3-4-8-18-16/h1-8,13H,9-12H2/p+1 |
| InChIK | HEZADLCCPYOMTL-UHFFFAOYSA-O |
| TotalMolweight | 285.345 |
| Molweight | 285.345 |
| MonoisotopicMass | 285.151549 |
| CLogP | 0.5696 |
| CLogS | -3.222 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 214.06 |
| Relative PSA | 0.086938 |
| PolarSurfaceArea | 32.98 |
| Druglikeness | 5.0949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine | 2 - (Z)-1-(2-fluorophenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off