Название: product
SMILES:
C[C@@H]1CCCN(C(=O)c2cc(F)ccc2I)[C@@H]1CN1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C22H20FIN2O3
Molecular weight
506.32
Exact mass
506.0503
XLogP
3.97
TPSA
57.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
114.15
Supplementary Information
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