CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1C)CC
SMILES: CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1C)CC

Molecular Processing

Molecular formula
C32H47BO3
Molecular weight
490.54
Exact mass
490.3618
XLogP
7.27
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
154

Supplementary Information

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