(3Z)-2-chloro-3-(dichlorophosphorylmethylidene)-1,4-dioxane
Molecular Formula : C5H6O3Cl3P | Mutagenic : none | Tumorigenic : high | Reproductive Effective : high |(3Z)-2-chloro-3-(dichlorophosphorylmethylidene)-1,4-dioxane is a drug-like molecule.
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 |