MolName : (3E)-3-[[4-[(E)-(2-oxooxolan-3-ylidene)methyl]phenyl]methylidene]oxolan-2-one |
MolecularFormula : C16H14O4 |
Smiles : O=C1OCC/C1=C\c1ccc(/C=C(\CCO2)/C2=O)cc1 |
InChI : InChI=1S/C16H14O4/c17-15-13(5-7-19-15)9-11-1-2-12(4-3-11)10-14-6-8-20-16(14)18/h1-4,9-10H,5-8H2 |
InChIK : VNUKQTGQNRWKJK-UHFFFAOYSA-N |
TotalMolweight : 270.283 |
Molweight : 270.283 |
MonoisotopicMass : 270.08921 |
CLogP : 1.7944 |
CLogS : -3.118 |
H Acceptors : 4 |
TotalSurfaceArea : 206.22 |
Relative PSA : 0.22345 |
PolarSurfaceArea : 52.6 |
Druglikeness : 0.3043 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 11 |
StereoCon : |