(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromothiophen-2-yl)methanimine
Molecular Formula : C16H19N3BrS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromothiophen-2-yl)methanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(5-bromothiophen-2-yl)methanimine |
MolecularFormula : C16H19N3BrS |
Smiles : Brc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)s1 |
InChI : InChI=1S/C16H18BrN3S/c17-16-7-6-15(21-16)12-18-20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1 |
InChIK : XPJACMKDJCDBAU-UHFFFAOYSA-O |
TotalMolweight : 365.318 |
Molweight : 365.318 |
MonoisotopicMass : 364.048303 |
CLogP : 1.7058 |
CLogS : -3.517 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 262.29 |
Relative PSA : 0.2021 |
PolarSurfaceArea : 48.28 |
Druglikeness : 1.6629 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.71429 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |