CCC(CC)(c1ccc(C=CC2(O)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1
SMILES: CCC(CC)(c1ccc(C=CC2(O)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

Molecular Processing

Molecular formula
C32H45BO3
Molecular weight
488.52
Exact mass
488.3462
XLogP
7.03
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
151.89

Supplementary Information

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