SMILES:
CC(C)c1nc2c(c(I)c1[C@@H](O)c1ccc(S(F)(F)(F)(F)F)cc1)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C2Molecular Processing
Molecular formula
C27H39F5INO2SSi
Molecular weight
691.66
Exact mass
691.1436
XLogP
10.58
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
156.07
Supplementary Information
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