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

Molecular Processing

Molecular formula
C31H47BO4
Molecular weight
494.53
Exact mass
494.3567
XLogP
6.49
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.613
Molar refractivity
150.39

Supplementary Information

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