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C11H10O5 | Cheminformatics
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(2-oxooxolan-3-yl) (E)-3-(furan-2-yl)prop-2-enoate

Molecular Formula : C11H10O5 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
(2-oxooxolan-3-yl) (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName : (2-oxooxolan-3-yl) (E)-3-(furan-2-yl)prop-2-enoate

MolecularFormula : C11H10O5

Smiles : O=C(/C=C/c1ccco1)OC(CCO1)C1=O

InChI : InChI=1S/C11H10O5/c12-10(4-3-8-2-1-6-14-8)16-9-5-7-15-11(9)13/h1-4,6,9H,5,7H2/t9-/m0/s1

InChIK : JCZKJWFHWRENSC-VIFPVBQESA-N

TotalMolweight : 222.195

Molweight : 222.195

MonoisotopicMass : 222.052825

CLogP : 0.574

CLogS : -2.206

H Acceptors : 5

TotalSurfaceArea : 171.47

Relative PSA : 0.35102

PolarSurfaceArea : 65.74

Druglikeness : -1.5438

Mutagenic : high

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

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