SMILES:
CC(C)(C)OC(=O)N1CCOC(Cc2cc(Br)ccc2OC(F)F)C1Molecular Processing
Molecular formula
C17H22BrF2NO4
Molecular weight
422.27
Exact mass
421.07
XLogP
4.23
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
92.03
Supplementary Information
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