(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine
Molecular Formula : C17H21N4 | Mutagenic : low | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine |
MolecularFormula : C17H21N4 |
Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1ncccc1 |
InChI : InChI=1S/C17H20N4/c1-2-6-16(7-3-1)15-20-10-12-21(13-11-20)19-14-17-8-4-5-9-18-17/h1-9,14H,10-13,15H2/p+1 |
InChIK : HEPIOLOMARTNIC-UHFFFAOYSA-O |
TotalMolweight : 281.382 |
Molweight : 281.382 |
MonoisotopicMass : 281.176621 |
CLogP : -0.0376 |
CLogS : -1.885 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 246.48 |
Relative PSA : 0.17697 |
PolarSurfaceArea : 32.93 |
Druglikeness : 3.8498 |
Mutagenic : low |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.71429 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 1 |
BasicNitrogens : 1 |
StereoCon : |