MolName : (2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C15H16NOF3 |
Smiles : OC(C1CCN2CC1)/C2=C/c1c(C(F)(F)F)cccc1 |
InChI : InChI=1S/C15H16F3NO/c16-15(17,18)12-4-2-1-3-11(12)9-13-14(20)10-5-7-19(13)8-6-10/h1-4,9-10,14,20H,5-8H2/t14-/m0/s1 |
InChIK : CIEXTPNCVAHLEU-AWEZNQCLSA-N |
TotalMolweight : 283.292 |
Molweight : 283.292 |
MonoisotopicMass : 283.118398 |
CLogP : 3.1099 |
CLogS : -3.396 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 197.12 |
Relative PSA : 0.084466 |
PolarSurfaceArea : 23.47 |
Druglikeness : -2.1237 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.45 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
StereoCenters : 1 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 9 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
StereoCon : racemate |