(E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-one
Molecular Formula : C20H23N2O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-one |
MolecularFormula : C20H23N2O |
Smiles : O=C(/C=C/c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 |
InChI : InChI=1S/C20H22N2O/c23-20(12-11-18-7-3-1-4-8-18)22-15-13-21(14-16-22)17-19-9-5-2-6-10-19/h1-12H,13-17H2/p+1 |
InChIK : GWHWSKGIRYVYDA-UHFFFAOYSA-O |
TotalMolweight : 307.416 |
Molweight : 307.416 |
MonoisotopicMass : 307.181038 |
CLogP : 1.0809 |
CLogS : -2.521 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 267.21 |
Relative PSA : 0.12791 |
PolarSurfaceArea : 24.75 |
Druglikeness : 1.7079 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.69565 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 6 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |