(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine
Molecular Formula : C17H20N4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine is a drug-like molecule.
MolName : (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine |
MolecularFormula : C17H20N4Cl |
Smiles : Clc1c(C[NH+](CC2)CCN2/N=C\c2cnccc2)cccc1 |
InChI : InChI=1S/C17H19ClN4/c18-17-6-2-1-5-16(17)14-21-8-10-22(11-9-21)20-13-15-4-3-7-19-12-15/h1-7,12-13H,8-11,14H2/p+1 |
InChIK : MZASMPSWHWZVJY-UHFFFAOYSA-O |
TotalMolweight : 315.827 |
Molweight : 315.827 |
MonoisotopicMass : 315.137648 |
CLogP : 0.5144 |
CLogS : -2.597 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 261.9 |
Relative PSA : 0.16655 |
PolarSurfaceArea : 32.93 |
Druglikeness : 3.8411 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.68182 |
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 : 2 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |