(Z)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine
Molecular Formula : C20H22N3O | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |(Z)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
MolName : (Z)-1-(furan-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine |
MolecularFormula : C20H22N3O |
Smiles : C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c1ccco1 |
InChI : InChI=1S/C20H21N3O/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 : OHOZWMLATLVAIH-UHFFFAOYSA-O |
TotalMolweight : 320.415 |
Molweight : 320.415 |
MonoisotopicMass : 320.176287 |
CLogP : 1.2924 |
CLogS : -3.944 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 272.01 |
Relative PSA : 0.17191 |
PolarSurfaceArea : 33.18 |
Druglikeness : 3.4032 |
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 : |