(E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
Molecular Formula : C20H21N2OCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one |
MolecularFormula : C20H21N2OCl2 |
Smiles : O=C(/C=C/c(c(Cl)ccc1)c1Cl)N1CC[NH+](Cc2ccccc2)CC1 |
InChI : InChI=1S/C20H20Cl2N2O/c21-18-7-4-8-19(22)17(18)9-10-20(25)24-13-11-23(12-14-24)15-16-5-2-1-3-6-16/h1-10H,11-15H2/p+1 |
InChIK : BEXUIYLPBJNJHJ-UHFFFAOYSA-O |
TotalMolweight : 376.306 |
Molweight : 376.306 |
MonoisotopicMass : 375.103092 |
CLogP : 2.2929 |
CLogS : -3.993 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 298.05 |
Relative PSA : 0.11468 |
PolarSurfaceArea : 24.75 |
Druglikeness : 1.7574 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.64 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 7 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |