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C5H6O3Cl3P (3Z)-2-chloro-3-(dichlorophosphorylmethylidene)-1,4-dioxane | Chemryt

(3Z)-2-chloro-3-(dichlorophosphorylmethylidene)-1,4-dioxane

Molecular Formula : C5H6O3Cl3P | Mutagenic : none | Tumorigenic : high | Reproductive Effective : |

MolName : (3Z)-2-chloro-3-(dichlorophosphorylmethylidene)-1,4-dioxane

MolecularFormula : C5H6O3Cl3P

Smiles : O=P(/C=C1\OCCOC1Cl)(Cl)Cl

InChI : InChI=1S/C5H6Cl3O3P/c6-5-4(3-12(7,8)9)10-1-2-11-5/h3,5H,1-2H2/t5-/m1/s1

InChIK : RULFIBINYIAUEE-RXMQYKEDSA-N

TotalMolweight : 251.433

Molweight : 251.433

MonoisotopicMass : 249.912013

CLogP : 0.3082

CLogS : -2.849

H Acceptors : 3

TotalSurfaceArea : 154.76

Relative PSA : 0.23921

PolarSurfaceArea : 45.34

Druglikeness : -29.856

Mutagenic : none

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Nasty Functions : acyl-halogenide type; Cl,Br,I on N,O,P,S,Se,I; allyl/benzyl chloride

Shape Index : 0.58333

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 1

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 6

Symmetricatoms : 1

StereoCon : racemate

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