(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-2-ylmethanimine
Molecular 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 : |