SMILES:
CC1(C)OB(c2ccc(CCNC(=O)C(F)(F)F)c(I)c2)OC1(C)CMolecular Processing
Molecular formula
C16H20BF3INO3
Molecular weight
469.05
Exact mass
469.0533
XLogP
2.81
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
97.64
Supplementary Information
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