SMILES:
CC(C)(C)OC(=O)NCCCCCCC(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1Molecular Processing
Molecular formula
C25H30FN3O6S2
Molecular weight
551.66
Exact mass
551.156
XLogP
5.62
TPSA
123.69
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
139.79
Supplementary Information
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