SMILES:
CC1(c2cc(N)c(I)cc2F)N=C(N)OCC1(F)FMolecular Processing
Molecular formula
C11H11F3IN3O
Molecular weight
385.13
Exact mass
384.9899
XLogP
2.21
TPSA
73.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
73.4
Supplementary Information
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