(3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one
Molecular Formula : C15H20O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3E)-3-[5-[(Z)-(2-oxooxolan-3-ylidene)methoxy]pentoxymethylidene]oxolan-2-one is a drug-like molecule.
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 : |