(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine
Molecular Formula : C18H22N3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine |
MolecularFormula : C18H22N3 |
Smiles : C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1ccccc1 |
InChI : InChI=1S/C18H21N3/c1-3-7-17(8-4-1)15-19-21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2/p+1 |
InChIK : UOBZLUUOGDBSRF-UHFFFAOYSA-O |
TotalMolweight : 280.394 |
Molweight : 280.394 |
MonoisotopicMass : 280.181372 |
CLogP : 0.9093 |
CLogS : -2.656 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 247.72 |
Relative PSA : 0.1318 |
PolarSurfaceArea : 20.04 |
Druglikeness : 3.8498 |
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 : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 6 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |