SMILES:
CC(=O)NCC1CN(c2cc(F)c(I)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C12H11F2IN2O3
Molecular weight
396.13
Exact mass
395.9782
XLogP
2.03
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
75.37
Supplementary Information
Récupération des détails…
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