(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine
Molecular Formula : C16H20N3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylmethanimine |
MolecularFormula : C16H20N3S |
Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1cccs1 |
InChI : InChI=1S/C16H19N3S/c1-2-5-15(6-3-1)14-18-8-10-19(11-9-18)17-13-16-7-4-12-20-16/h1-7,12-13H,8-11,14H2/p+1 |
InChIK : YVWDYPMRNJTENU-UHFFFAOYSA-O |
TotalMolweight : 286.422 |
Molweight : 286.422 |
MonoisotopicMass : 286.137792 |
CLogP : 0.7759 |
CLogS : -2.666 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 243.66 |
Relative PSA : 0.21756 |
PolarSurfaceArea : 48.28 |
Druglikeness : 5.3922 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.7 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
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 : |