SMILES:
O=C(NOCCO)c1cc(CN2CCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1FMolecular Processing
Molecular formula
C21H21F3IN3O4
Molecular weight
563.31
Exact mass
563.0529
XLogP
3.62
TPSA
90.9
H-bond donors
3
H-bond acceptors
5
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
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
118.53
Supplementary Information
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