(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine
Formula:C25H27N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine |
| MolecularFormula | C25H27N3OCl |
| Smiles | Clc1c(C[NH+](CC2)CCN2/N=C\c2cc(OCc3ccccc3)ccc2)cccc1 |
| InChI | InChI=1S/C25H26ClN3O/c26-25-12-5-4-10-23(25)19-28-13-15-29(16-14-28)27-18-22-9-6-11-24(17-22)30-20-21-7-2-1-3-8-21/h1-12,17-18H,13-16,19-20H2/p+1 |
| InChIK | RDKROQLFNRIYMY-UHFFFAOYSA-O |
| TotalMolweight | 420.962 |
| Molweight | 420.962 |
| MonoisotopicMass | 420.184264 |
| CLogP | 2.8634 |
| CLogS | -4.733 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 346.66 |
| Relative PSA | 0.12303 |
| PolarSurfaceArea | 29.27 |
| Druglikeness | 3.2955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| 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-(3-phenylmethoxyphenyl)methanimine | 2 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine
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