(3E)-3-[6-[(Z)-(2-oxooxolan-3-ylidene)methoxy]hexoxymethylidene]oxolan-2-one
Molecular Formula : C16H22O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3E)-3-[6-[(Z)-(2-oxooxolan-3-ylidene)methoxy]hexoxymethylidene]oxolan-2-one is a drug-like molecule.
MolName : (3E)-3-[6-[(Z)-(2-oxooxolan-3-ylidene)methoxy]hexoxymethylidene]oxolan-2-one |
MolecularFormula : C16H22O6 |
Smiles : O=C1OCC/C1=C\OCCCCCCO/C=C(/CCO1)\C1=O |
InChI : InChI=1S/C16H22O6/c17-15-13(5-9-21-15)11-19-7-3-1-2-4-8-20-12-14-6-10-22-16(14)18/h11-12H,1-10H2 |
InChIK : NRQWKXBEBCJMGJ-UHFFFAOYSA-N |
TotalMolweight : 310.345 |
Molweight : 310.345 |
MonoisotopicMass : 310.14164 |
CLogP : 0.9794 |
CLogS : -2.58 |
H Acceptors : 6 |
TotalSurfaceArea : 249.02 |
Relative PSA : 0.26536 |
PolarSurfaceArea : 71.06 |
Druglikeness : -7.9592 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : low |
Nasty Functions : |
Shape Index : 0.72727 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 9 |
Rings Closures : 2 |
Small Rings : 2 |
Sp3Atoms : 14 |
StereoCon : |