(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-chloro-5-nitrophenyl)methanimine
Molecular Formula : C18H20N4O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-chloro-5-nitrophenyl)methanimine is a drug-like molecule.
MolName : (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-chloro-5-nitrophenyl)methanimine |
MolecularFormula : C18H20N4O2Cl |
Smiles : [O-][N+](c(cc1)cc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)c1Cl)=O |
InChI : InChI=1S/C18H19ClN4O2/c19-18-7-6-17(23(24)25)12-16(18)13-20-22-10-8-21(9-11-22)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1 |
InChIK : IAMPZDSRGBVQSP-UHFFFAOYSA-O |
TotalMolweight : 359.836 |
Molweight : 359.836 |
MonoisotopicMass : 359.127478 |
CLogP : 1.9085 |
CLogS : -3.852 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 286.81 |
Relative PSA : 0.2199 |
PolarSurfaceArea : 65.86 |
Druglikeness : -1.0785 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde |
Shape Index : 0.64 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |