MolName : 2-[(E)-2-phenylethenyl]-1,3-dioxane |
MolecularFormula : C12H14O2 |
Smiles : C1COC(/C=C/c2ccccc2)OC1 |
InChI : InChI=1S/C12H14O2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2 |
InChIK : RYBKJHOKANEUER-UHFFFAOYSA-N |
TotalMolweight : 190.241 |
Molweight : 190.241 |
MonoisotopicMass : 190.09938 |
CLogP : 2.3233 |
CLogS : -2.503 |
H Acceptors : 2 |
TotalSurfaceArea : 160.04 |
Relative PSA : 0.12497 |
PolarSurfaceArea : 18.46 |
Druglikeness : -1.3653 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.71429 |
Fragments : 1 |
Non HAtoms : 14 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |