4-[(E)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-yl]morpholine
Molecular Formula : C16H17NO3F6S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[(E)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-yl]morpholine is a drug-like molecule.
MolName : 4-[(E)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-yl]morpholine |
MolecularFormula : C16H17NO3F6S |
Smiles : O=S(Cc1ccccc1)(/C=C(\C(C(C(F)F)(F)F)(F)F)/N1CCOCC1)=O |
InChI : InChI=1S/C16H17F6NO3S/c17-14(18)16(21,22)15(19,20)13(23-6-8-26-9-7-23)11-27(24,25)10-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2 |
InChIK : PSSSEIDUZZYJEQ-UHFFFAOYSA-N |
TotalMolweight : 417.369 |
Molweight : 417.369 |
MonoisotopicMass : 417.083332 |
CLogP : 2.5091 |
CLogS : -4.134 |
H Acceptors : 4 |
TotalSurfaceArea : 273.57 |
Relative PSA : 0.154 |
PolarSurfaceArea : 54.99 |
Druglikeness : -30.199 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.44444 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 7 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 10 |
Symmetricatoms : 8 |
StereoCon : |