(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenylmethanimine
Formula:C18H21N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenylmethanimine |
| MolecularFormula | C18H21N3Cl |
| Smiles | Clc1ccc(C[NH+](CC2)CCN2/N=C\c2ccccc2)cc1 |
| InChI | InChI=1S/C18H20ClN3/c19-18-8-6-17(7-9-18)15-21-10-12-22(13-11-21)20-14-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1 |
| InChIK | CEWAIQVRTQEXAO-UHFFFAOYSA-O |
| TotalMolweight | 314.839 |
| Molweight | 314.839 |
| MonoisotopicMass | 314.142399 |
| CLogP | 1.5153 |
| CLogS | -3.392 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 263.14 |
| Relative PSA | 0.12408 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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