SMILES:
CC1NC(=O)OC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C12H9F6NO2
Molecular weight
313.2
Exact mass
313.0537
XLogP
3.89
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.27
Supplementary Information
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