MolName : (3E)-3-[(3,4-dichlorophenyl)methylidene]oxolan-2-one |
MolecularFormula : C11H8O2Cl2 |
Smiles : O=C1OCC/C1=C\c(cc1)cc(Cl)c1Cl |
InChI : InChI=1S/C11H8Cl2O2/c12-9-2-1-7(6-10(9)13)5-8-3-4-15-11(8)14/h1-2,5-6H,3-4H2 |
InChIK : GXAOMEIKLWDKJM-UHFFFAOYSA-N |
TotalMolweight : 243.089 |
Molweight : 243.089 |
MonoisotopicMass : 241.990134 |
CLogP : 2.939 |
CLogS : -3.839 |
H Acceptors : 2 |
TotalSurfaceArea : 170.58 |
Relative PSA : 0.13507 |
PolarSurfaceArea : 26.3 |
Druglikeness : 0.41096 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 3 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |