(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine
Molecular Formula : C18H20N3ClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine |
MolecularFormula : C18H20N3ClF |
Smiles : Fc1cccc(Cl)c1/C=N\N1CC[NH+](Cc2ccccc2)CC1 |
InChI : InChI=1S/C18H19ClFN3/c19-17-7-4-8-18(20)16(17)13-21-23-11-9-22(10-12-23)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1 |
InChIK : XKYIQJRBGVWJGF-UHFFFAOYSA-O |
TotalMolweight : 332.829 |
Molweight : 332.829 |
MonoisotopicMass : 332.132977 |
CLogP : 1.6161 |
CLogS : -3.706 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 269.49 |
Relative PSA : 0.12115 |
PolarSurfaceArea : 20.04 |
Druglikeness : 2.5011 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.65217 |
Fragments : 1 |
Non HAtoms : 23 |
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 |
BasicNitrogens : 1 |
StereoCon : |