(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine
Formula:C24H25N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine |
| MolecularFormula | C24H25N3OCl |
| Smiles | Clc1ccc(C[NH+](CC2)CCN2/N=C\c2cc(Oc3ccccc3)ccc2)cc1 |
| InChI | InChI=1S/C24H24ClN3O/c25-22-11-9-20(10-12-22)19-27-13-15-28(16-14-27)26-18-21-5-4-8-24(17-21)29-23-6-2-1-3-7-23/h1-12,17-18H,13-16,19H2/p+1 |
| InChIK | HWMKXMMJOSSXEU-UHFFFAOYSA-O |
| TotalMolweight | 406.936 |
| Molweight | 406.936 |
| MonoisotopicMass | 406.168614 |
| CLogP | 2.9109 |
| CLogS | -5.689 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.9 |
| Relative PSA | 0.12812 |
| PolarSurfaceArea | 29.27 |
| Druglikeness | 3.5958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine | 2 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off