(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-bromophenyl)methanimine
Molecular Formula : C18H21N3Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-bromophenyl)methanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-bromophenyl)methanimine |
MolecularFormula : C18H21N3Br |
Smiles : Brc1cc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)ccc1 |
InChI : InChI=1S/C18H20BrN3/c19-18-8-4-7-17(13-18)14-20-22-11-9-21(10-12-22)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2/p+1 |
InChIK : RMVJSHOIENRKIK-UHFFFAOYSA-O |
TotalMolweight : 359.29 |
Molweight : 359.29 |
MonoisotopicMass : 358.091883 |
CLogP : 1.6345 |
CLogS : -3.49 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 266.35 |
Relative PSA : 0.12258 |
PolarSurfaceArea : 20.04 |
Druglikeness : 2.0598 |
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 : 4 |
Electronegative Atoms : 4 |
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 : |