الاسم: effective_coupling_partner
SMILES:
Cc1ccccc1B1OB(c2ccccc2C)OB(c2ccccc2C)O1Molecular Processing
Molecular formula
C21H21B3O3
Molecular weight
353.83
Exact mass
354.177
XLogP
2.16
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
112.96
Supplementary Information
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