(Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
Formula:C17H18N4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine |
| MolecularFormula | C17H18N4F3 |
| Smiles | FC(c1c(/C=N\N(CC2)CCN2c2[nH+]cccc2)cccc1)(F)F |
| InChI | InChI=1S/C17H17F3N4/c18-17(19,20)15-6-2-1-5-14(15)13-22-24-11-9-23(10-12-24)16-7-3-4-8-21-16/h1-8,13H,9-12H2/p+1 |
| InChIK | LHCBEAIBSLDLTG-UHFFFAOYSA-O |
| TotalMolweight | 335.352 |
| Molweight | 335.352 |
| MonoisotopicMass | 335.148355 |
| CLogP | 1.3171 |
| CLogS | -3.686 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.17 |
| Relative PSA | 0.078467 |
| PolarSurfaceArea | 32.98 |
| Druglikeness | -0.75515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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