이름: Compound 1A
SMILES:
O=S(=O)(Nc1c(Nc2ccc(I)cc2F)c(F)c(F)c2ncoc12)C1CC1Molecular Processing
Molecular formula
C16H11F3IN3O3S
Molecular weight
509.25
Exact mass
508.9518
XLogP
4.5
TPSA
84.23
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
101.89
Supplementary Information
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