MolName : (3Z)-3-[(5Z)-5-(2-oxooxolan-3-ylidene)pentylidene]oxolan-2-one |
MolecularFormula : C13H16O4 |
Smiles : O=C1OCC/C1=C/CCC/C=C(/CCO1)\C1=O |
InChI : InChI=1S/C13H16O4/c14-12-10(6-8-16-12)4-2-1-3-5-11-7-9-17-13(11)15/h4-5H,1-3,6-9H2 |
InChIK : BRVLHFJDNFUBMA-UHFFFAOYSA-N |
TotalMolweight : 236.266 |
Molweight : 236.266 |
MonoisotopicMass : 236.10486 |
CLogP : 1.6072 |
CLogS : -2.104 |
H Acceptors : 4 |
TotalSurfaceArea : 187.74 |
Relative PSA : 0.24545 |
PolarSurfaceArea : 52.6 |
Druglikeness : -3.5478 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.64706 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Sp3Atoms : 9 |
Symmetricatoms : 8 |
StereoCon : |