SMILES:
CSCCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1FMolecular Processing
Molecular formula
C20H23F3IN3O4S
Molecular weight
585.39
Exact mass
585.0406
XLogP
3.88
TPSA
91.85
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
125.05
Supplementary Information
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