(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine
Molecular Formula : C18H20N3Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine |
MolecularFormula : C18H20N3Cl2 |
Smiles : Clc(ccc(/C=N\N1CC[NH+](Cc2ccccc2)CC1)c1)c1Cl |
InChI : InChI=1S/C18H19Cl2N3/c19-17-7-6-16(12-18(17)20)13-21-23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1 |
InChIK : VPLQVVWFZJGKDT-UHFFFAOYSA-O |
TotalMolweight : 349.284 |
Molweight : 349.284 |
MonoisotopicMass : 348.103426 |
CLogP : 2.1213 |
CLogS : -4.128 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 278.56 |
Relative PSA : 0.11721 |
PolarSurfaceArea : 20.04 |
Druglikeness : 3.8411 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.69565 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |