Hydrophobic parameter calculation reference value (XlogP) :-0.5
Number of hydrogen bond donors :1
Number of hydrogen bond receptors :2
Number of rotatable bonds :2
Accurate quality :84.068748
Isotope mass :84.068748
Topological molecular polar surface area (TPSA) :35.8
Number of heavy atoms :6
Formal charge :0
Complexity :59.2
Number of isotope atoms :0
Determine the number of protonic centers :0
Number of uncertain protonic centers :0
Determine the number of chemical bond stereocenter :0
Number of uncertain bond stereocentes :0
Number of covalent bond units :1
Number of functional 3d receptors :1
Function 3 d Number of donors :1
Function 3 d Number of cations :1
Number of active rotors :2
Conformational isomer sampling RMSD:0.4
Number of CID isomers :7
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