SMILES:
O=C1CCCC1Oc1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C12H11F3O2
Molecular weight
244.21
Exact mass
244.0711
XLogP
3.21
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
54.72
Supplementary Information
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