(Z,Z)-N-(4-benzylpiperazin-4-ium-1-yl)-2-bromo-3-phenylprop-2-en-1-imine
Molecular Formula : C20H23N3Br | Mutagenic : high | Tumorigenic : low | Reproductive Effective : none |(Z,Z)-N-(4-benzylpiperazin-4-ium-1-yl)-2-bromo-3-phenylprop-2-en-1-imine is a drug-like molecule.
MolName : (Z,Z)-N-(4-benzylpiperazin-4-ium-1-yl)-2-bromo-3-phenylprop-2-en-1-imine |
MolecularFormula : C20H23N3Br |
Smiles : Br/C(/C=N\N1CC[NH+](Cc2ccccc2)CC1)=C\c1ccccc1 |
InChI : InChI=1S/C20H22BrN3/c21-20(15-18-7-3-1-4-8-18)16-22-24-13-11-23(12-14-24)17-19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2/p+1 |
InChIK : DYNORDCFBLDDQF-UHFFFAOYSA-O |
TotalMolweight : 385.328 |
Molweight : 385.328 |
MonoisotopicMass : 384.107533 |
CLogP : 1.5202 |
CLogS : -3.781 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 291.06 |
Relative PSA : 0.11218 |
PolarSurfaceArea : 20.04 |
Druglikeness : -1.3377 |
Mutagenic : high |
Tumorigenic : low |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.70833 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 6 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |