(2-oxooxolan-3-yl) (Z)-2,3-dithiophen-2-ylprop-2-enoate
Molecular Formula : C15H12O4S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2-oxooxolan-3-yl) (Z)-2,3-dithiophen-2-ylprop-2-enoate is a drug-like molecule.
MolName : (2-oxooxolan-3-yl) (Z)-2,3-dithiophen-2-ylprop-2-enoate |
MolecularFormula : C15H12O4S2 |
Smiles : O=C(/C(/c1cccs1)=C/c1cccs1)OC(CCO1)C1=O |
InChI : InChI=1S/C15H12O4S2/c16-14(19-12-5-6-18-15(12)17)11(13-4-2-8-21-13)9-10-3-1-7-20-10/h1-4,7-9,12H,5-6H2/t12-/m0/s1 |
InChIK : KJDQFLACRDOZLI-LBPRGKRZSA-N |
TotalMolweight : 320.388 |
Molweight : 320.388 |
MonoisotopicMass : 320.0177 |
CLogP : 2.4553 |
CLogS : -3.501 |
H Acceptors : 4 |
TotalSurfaceArea : 231.63 |
Relative PSA : 0.37474 |
PolarSurfaceArea : 109.08 |
Druglikeness : 2.742 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.47619 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
StereoCenters : 1 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 10 |
Sp3Atoms : 5 |
StereoCon : racemate |