1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
Molecular Formula : C19H23N2O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium is a drug-like molecule.
MolName : 1-benzyl-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium |
MolecularFormula : C19H23N2O2S |
Smiles : O=S(/C=C/c1ccccc1)(N1CC[NH+](Cc2ccccc2)CC1)=O |
InChI : InChI=1S/C19H22N2O2S/c22-24(23,16-11-18-7-3-1-4-8-18)21-14-12-20(13-15-21)17-19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/p+1 |
InChIK : MKCLLEUTXFVXRL-UHFFFAOYSA-O |
TotalMolweight : 343.47 |
Molweight : 343.47 |
MonoisotopicMass : 343.148023 |
CLogP : 0.6461 |
CLogS : -3.077 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 278.04 |
Relative PSA : 0.17882 |
PolarSurfaceArea : 50.2 |
Druglikeness : 0.52309 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 7 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |