(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
Molecular Formula : C20H22N3S | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |(Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine is a drug-like molecule.
MolName : (Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine |
MolecularFormula : C20H22N3S |
Smiles : C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c1cccs1 |
InChI : InChI=1S/C20H21N3S/c1-2-9-20-17(5-1)6-3-7-18(20)16-22-10-12-23(13-11-22)21-15-19-8-4-14-24-19/h1-9,14-15H,10-13,16H2/p+1 |
InChIK : HQRGLARIPQHXAF-UHFFFAOYSA-O |
TotalMolweight : 336.482 |
Molweight : 336.482 |
MonoisotopicMass : 336.153442 |
CLogP : 1.9703 |
CLogS : -4.272 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 278.26 |
Relative PSA : 0.19051 |
PolarSurfaceArea : 48.28 |
Druglikeness : 5.3922 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 7 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |