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C12H14O2 | Cheminformatics
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2-[(E)-2-phenylethenyl]-1,3-dioxane

Molecular Formula : C12H14O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[(E)-2-phenylethenyl]-1,3-dioxane is a drug-like molecule.

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 :

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