(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine
Formula:C19H21N3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine |
| MolecularFormula | C19H21N3F3 |
| Smiles | FC(c1c(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cccc1)(F)F |
| InChI | InChI=1S/C19H20F3N3/c20-19(21,22)18-9-5-4-8-17(18)14-23-25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+1 |
| InChIK | UKFXNEPDUKJVAV-UHFFFAOYSA-O |
| TotalMolweight | 348.391 |
| Molweight | 348.391 |
| MonoisotopicMass | 348.168756 |
| CLogP | 1.7576 |
| CLogS | -3.434 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.18 |
| Relative PSA | 0.11779 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | -3.3402 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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