2-[(E)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
Molecular Formula : C17H15O2Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-[(E)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane is a drug-like molecule.
MolName : 2-[(E)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane |
MolecularFormula : C17H15O2Br |
Smiles : Brc1c(/C=C/C2(c3ccccc3)OCCO2)cccc1 |
InChI : InChI=1S/C17H15BrO2/c18-16-9-5-4-6-14(16)10-11-17(19-12-13-20-17)15-7-2-1-3-8-15/h1-11H,12-13H2 |
InChIK : FJZFNDZAOAMIOQ-UHFFFAOYSA-N |
TotalMolweight : 331.208 |
Molweight : 331.208 |
MonoisotopicMass : 330.025541 |
CLogP : 4.2402 |
CLogS : -3.567 |
H Acceptors : 2 |
TotalSurfaceArea : 222.58 |
Relative PSA : 0.089855 |
PolarSurfaceArea : 18.46 |
Druglikeness : -8.91 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.55 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 4 |
StereoCon : |