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C17H15O2Br 2-[(E)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane | Chemryt

2-[(E)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane

Molecular Formula : C17H15O2Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

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

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