(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenylmethanimine
Molecular Formula : C18H21N3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenylmethanimine is a drug-like molecule.
MolName : (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-phenylmethanimine |
MolecularFormula : C18H21N3Cl |
Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c2ccccc2)cc1 |
InChI : InChI=1S/C18H20ClN3/c19-18-8-6-17(7-9-18)15-21-10-12-22(13-11-21)20-14-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1 |
InChIK : CEWAIQVRTQEXAO-UHFFFAOYSA-O |
TotalMolweight : 314.839 |
Molweight : 314.839 |
MonoisotopicMass : 314.142399 |
CLogP : 1.5153 |
CLogS : -3.392 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 263.14 |
Relative PSA : 0.12408 |
PolarSurfaceArea : 20.04 |
Druglikeness : 3.8411 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.72727 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 6 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |