Cc1cc(F)c(I)cc1C1C(OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OCC2CNCC21
SMILES: Cc1cc(F)c(I)cc1C1C(OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OCC2CNCC21

Molecular Processing

Molecular formula
C24H23F7INO2
Molecular weight
617.34
Exact mass
617.0662
XLogP
6.83
TPSA
30.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
122.13

Supplementary Information

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