MolName : 2-[(2,5-difluorophenoxy)methyl]-4-[(E)-2-phenylethenyl]sulfonylmorpholine |
MolecularFormula : C19H19NO4F2S |
Smiles : O=S(/C=C/c1ccccc1)(N1CC(COc(cc(cc2)F)c2F)OCC1)=O |
InChI : InChI=1S/C19H19F2NO4S/c20-16-6-7-18(21)19(12-16)26-14-17-13-22(9-10-25-17)27(23,24)11-8-15-4-2-1-3-5-15/h1-8,11-12,17H,9-10,13-14H2/t17-/m1/s1 |
InChIK : YSPVUJGGQWIZCL-QGZVFWFLSA-N |
TotalMolweight : 395.425 |
Molweight : 395.425 |
MonoisotopicMass : 395.100285 |
CLogP : 2.7733 |
CLogS : -4.208 |
H Acceptors : 5 |
TotalSurfaceArea : 285.14 |
Relative PSA : 0.18282 |
PolarSurfaceArea : 64.22 |
Druglikeness : -1.6722 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.59259 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
StereoCenters : 1 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 3 |
Amides : 1 |
StereoCon : racemate |