(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine
Formula:C18H19N3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine |
| MolecularFormula | C18H19N3Cl3 |
| Smiles | Clc1c(C[NH+](CC2)CCN2/N=C\c(cc2)cc(Cl)c2Cl)cccc1 |
| InChI | InChI=1S/C18H18Cl3N3/c19-16-4-2-1-3-15(16)13-23-7-9-24(10-8-23)22-12-14-5-6-17(20)18(21)11-14/h1-6,11-12H,7-10,13H2/p+1 |
| InChIK | QAIIMHSMRAHPMJ-UHFFFAOYSA-O |
| TotalMolweight | 383.729 |
| Molweight | 383.729 |
| MonoisotopicMass | 382.064453 |
| CLogP | 2.7273 |
| CLogS | -4.864 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 293.98 |
| Relative PSA | 0.11106 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine | 2 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dichlorophenyl)methanimine
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