SMILES:
CS(=O)(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1FMolecular Processing
Molecular formula
C19H21F3IN3O6S
Molecular weight
603.36
Exact mass
603.0148
XLogP
2.17
TPSA
125.99
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
121.76
Supplementary Information
Details werden geladen…
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