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C11H10O4S | Cheminformatics

(2-oxooxolan-3-yl) (E)-3-thiophen-2-ylprop-2-enoate

Molecular Formula : C11H10O4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

Request More Details | (2-oxooxolan-3-yl) (E)-3-thiophen-2-ylprop-2-enoate


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