SMILES:
Cc1c(C(O)C(C)C)ccc2c1OC(F)(F)C(F)(F)O2Molecular Processing
Molecular formula
C13H14F4O3
Molecular weight
294.24
Exact mass
294.0879
XLogP
3.64
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
62.13
Supplementary Information
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