1-(benzenesulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium
Molecular Formula : C19H23N2O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |1-(benzenesulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium is a drug-like molecule.
MolName : 1-(benzenesulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium |
MolecularFormula : C19H23N2O2S |
Smiles : O=S(c1ccccc1)(N1CC[NH+](C/C=C/c2ccccc2)CC1)=O |
InChI : InChI=1S/C19H22N2O2S/c22-24(23,19-11-5-2-6-12-19)21-16-14-20(15-17-21)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2/p+1 |
InChIK : YLEXJEPWVDBYLA-UHFFFAOYSA-O |
TotalMolweight : 343.47 |
Molweight : 343.47 |
MonoisotopicMass : 343.148023 |
CLogP : 0.8814 |
CLogS : -2.164 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 278.04 |
Relative PSA : 0.17882 |
PolarSurfaceArea : 50.2 |
Druglikeness : -6.4093 |
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 : |