SMILES:
COc1ccc2cc(C3(O)CCC(C(F)(F)F)CC3)ccc2c1Molecular Processing
Molecular formula
C18H19F3O2
Molecular weight
324.34
Exact mass
324.1337
XLogP
4.79
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
82.41
Supplementary Information
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