SMILES:
O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C20H19F3IN3O5
Molecular weight
565.29
Exact mass
565.0322
XLogP
3.16
TPSA
100.13
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
115
Supplementary Information
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