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C16H14O4 (3E)-3-[[4-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one | Chemryt

(3E)-3-[[4-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one

Molecular Formula : C16H14O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (3E)-3-[[4-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one

MolecularFormula : C16H14O4

Smiles : O=C1OCC/C1=C\c1ccc(/C=C(\CCO2)/C2=O)cc1

InChI : InChI=1S/C16H14O4/c17-15-13(5-7-19-15)9-11-1-2-12(4-3-11)10-14-6-8-20-16(14)18/h1-4,9-10H,5-8H2

InChIK : VNUKQTGQNRWKJK-UHFFFAOYSA-N

TotalMolweight : 270.283

Molweight : 270.283

MonoisotopicMass : 270.08921

CLogP : 1.7944

CLogS : -3.118

H Acceptors : 4

TotalSurfaceArea : 206.22

Relative PSA : 0.22345

PolarSurfaceArea : 52.6

Druglikeness : 0.3043

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.6

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 6

Symmetricatoms : 11

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