SMILES:
CC(C)(C)OC(=O)C(C)(C)OCC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])(c1cc(Br)ccc1F)C(F)FMolecular Processing
Molecular formula
C23H26BrF3N2O7S
Molecular weight
611.43
Exact mass
610.0596
XLogP
5.07
TPSA
124.84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
131.08
Supplementary Information
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