(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one
Molecular Formula : C22H25N2O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one |
MolecularFormula : C22H25N2O |
Smiles : O=C(/C=C/c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
InChI : InChI=1S/C22H24N2O/c25-22(14-13-21-10-5-2-6-11-21)24-18-16-23(17-19-24)15-7-12-20-8-3-1-4-9-20/h1-14H,15-19H2/p+1 |
InChIK : FSYSSVWBDAYUEO-UHFFFAOYSA-O |
TotalMolweight : 333.454 |
Molweight : 333.454 |
MonoisotopicMass : 333.196688 |
CLogP : 1.8421 |
CLogS : -3.038 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 293.71 |
Relative PSA : 0.11637 |
PolarSurfaceArea : 24.75 |
Druglikeness : 1.7079 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.72 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 5 |
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 : |