SMILES:
OC1CCCC1Oc1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C12H13F3O2
Molecular weight
246.23
Exact mass
246.0868
XLogP
3
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
55.72
Supplementary Information
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