(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine
Formula:C17H20N4Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine |
| MolecularFormula | C17H20N4Cl |
| Smiles | Clc1ccc(C[NH+](CC2)CCN2/N=C\c2ncccc2)cc1 |
| InChI | InChI=1S/C17H19ClN4/c18-16-6-4-15(5-7-16)14-21-9-11-22(12-10-21)20-13-17-3-1-2-8-19-17/h1-8,13H,9-12,14H2/p+1 |
| InChIK | ABDIGYQBJVPEIW-UHFFFAOYSA-O |
| TotalMolweight | 315.827 |
| Molweight | 315.827 |
| MonoisotopicMass | 315.137648 |
| CLogP | 0.5684 |
| CLogS | -2.621 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.9 |
| Relative PSA | 0.16655 |
| PolarSurfaceArea | 32.93 |
| Druglikeness | 3.8411 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine | 2 - (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off