(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
Formula:C19H20N3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine |
| MolecularFormula | C19H20N3ClF3 |
| Smiles | FC(c1c(/C=N\N2CC[NH+](Cc(cccc3)c3Cl)CC2)cccc1)(F)F |
| InChI | InChI=1S/C19H19ClF3N3/c20-18-8-4-2-6-16(18)14-25-9-11-26(12-10-25)24-13-15-5-1-3-7-17(15)19(21,22)23/h1-8,13H,9-12,14H2/p+1 |
| InChIK | RKVOPXLPFFUWDS-UHFFFAOYSA-O |
| TotalMolweight | 382.836 |
| Molweight | 382.836 |
| MonoisotopicMass | 382.129783 |
| CLogP | 2.3636 |
| CLogS | -4.17 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 292.6 |
| Relative PSA | 0.11159 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | -3.3489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine | 2 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
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