이름: compound
SMILES:
COC(=O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1Molecular Processing
Molecular formula
C13H10F6O2
Molecular weight
312.21
Exact mass
312.0585
XLogP
3.93
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
59.37
Supplementary Information
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