CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1
SMILES: CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

Molecular Processing

Molecular formula
C30H39BF6O3
Molecular weight
572.44
Exact mass
572.2896
XLogP
7.5
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
40
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
144.82

Supplementary Information

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