(2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Molecular Formula : C14H15NO6S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |(2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
MolName : (2-oxooxolan-3-yl) 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
MolecularFormula : C14H15NO6S |
Smiles : O=C(CNS(/C=C/c1ccccc1)(=O)=O)OC(CCO1)C1=O |
InChI : InChI=1S/C14H15NO6S/c16-13(21-12-6-8-20-14(12)17)10-15-22(18,19)9-7-11-4-2-1-3-5-11/h1-5,7,9,12,15H,6,8,10H2/t12-/m0/s1 |
InChIK : NNAIANGKKQSNFB-LBPRGKRZSA-N |
TotalMolweight : 325.34 |
Molweight : 325.34 |
MonoisotopicMass : 325.062009 |
CLogP : 0.3523 |
CLogS : -2.899 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 235.58 |
Relative PSA : 0.36557 |
PolarSurfaceArea : 107.15 |
Druglikeness : -0.022227 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
StereoCenters : 1 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 7 |
Symmetricatoms : 3 |
Amides : 1 |
StereoCon : racemate |