(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(furan-2-yl)methanimine
Molecular Formula : C16H19N3OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(furan-2-yl)methanimine is a drug-like molecule.
MolName : (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(furan-2-yl)methanimine |
MolecularFormula : C16H19N3OCl |
Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c2ccco2)cc1 |
InChI : InChI=1S/C16H18ClN3O/c17-15-5-3-14(4-6-15)13-19-7-9-20(10-8-19)18-12-16-2-1-11-21-16/h1-6,11-12H,7-10,13H2/p+1 |
InChIK : RXWGSSPLWHKDPQ-UHFFFAOYSA-O |
TotalMolweight : 304.8 |
Molweight : 304.8 |
MonoisotopicMass : 304.121664 |
CLogP : 0.704 |
CLogS : -3.074 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 252.83 |
Relative PSA : 0.18495 |
PolarSurfaceArea : 33.18 |
Druglikeness : 3.4616 |
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 : |