MolName : (2-oxooxolan-3-yl) (E)-3-thiophen-2-ylprop-2-enoate |
MolecularFormula : C11H10O4S |
Smiles : O=C(/C=C/c1cccs1)OC(CCO1)C1=O |
InChI : InChI=1S/C11H10O4S/c12-10(4-3-8-2-1-7-16-8)15-9-5-6-14-11(9)13/h1-4,7,9H,5-6H2/t9-/m0/s1 |
InChIK : FKVMWSQBVVRJOG-VIFPVBQESA-N |
TotalMolweight : 238.262 |
Molweight : 238.262 |
MonoisotopicMass : 238.02998 |
CLogP : 1.2519 |
CLogS : -2.534 |
H Acceptors : 4 |
TotalSurfaceArea : 177.72 |
Relative PSA : 0.37385 |
PolarSurfaceArea : 80.84 |
Druglikeness : 0.28179 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
StereoCenters : 1 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 5 |
StereoCon : racemate |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |