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C15H20O6 | Cheminformatics

(3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one

Molecular Formula : C15H20O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one

MolecularFormula : C15H20O6

Smiles : O=C1OCC/C1=C\OCCCCCO/C=C(/CCO1)\C1=O

InChI : InChI=1S/C15H20O6/c16-14-12(4-8-20-14)10-18-6-2-1-3-7-19-11-13-5-9-21-15(13)17/h10-11H,1-9H2

InChIK : MDNAZUKVQVGSPN-UHFFFAOYSA-N

TotalMolweight : 296.318

Molweight : 296.318

MonoisotopicMass : 296.12599

CLogP : 0.525

CLogS : -2.31

H Acceptors : 6

TotalSurfaceArea : 235.26

Relative PSA : 0.28088

PolarSurfaceArea : 71.06

Druglikeness : -5.6292

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

Nasty Functions :

Shape Index : 0.71429

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 8

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 13

StereoCon :

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