1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium
Molecular Formula : C17H21N2O2S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium is a drug-like molecule.
MolName : 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium |
MolecularFormula : C17H21N2O2S2 |
Smiles : O=S(c1cccs1)(N1CC[NH+](C/C=C/c2ccccc2)CC1)=O |
InChI : InChI=1S/C17H20N2O2S2/c20-23(21,17-9-5-15-22-17)19-13-11-18(12-14-19)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2/p+1 |
InChIK : FQEAUZGLCDVOOY-UHFFFAOYSA-O |
TotalMolweight : 349.498 |
Molweight : 349.498 |
MonoisotopicMass : 349.104443 |
CLogP : 0.8705 |
CLogS : -2.081 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 273.98 |
Relative PSA : 0.25579 |
PolarSurfaceArea : 78.44 |
Druglikeness : 1.1619 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.65217 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 7 |
Symmetricatoms : 5 |
Amides : 1 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |