MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromo-2-fluorophenyl)methanimine |
MolecularFormula : C18H20N3BrF |
Smiles : Fc(cc1)c(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1Br |
InChI : InChI=1S/C18H19BrFN3/c19-17-6-7-18(20)16(12-17)13-21-23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1 |
InChIK : TZLWFTIOHJWNHS-UHFFFAOYSA-O |
TotalMolweight : 377.28 |
Molweight : 377.28 |
MonoisotopicMass : 376.082461 |
CLogP : 1.7353 |
CLogS : -3.804 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 272.7 |
Relative PSA : 0.11973 |
PolarSurfaceArea : 20.04 |
Druglikeness : 0.71978 |
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 : |