이름: title compound
SMILES:
Cn1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2c1=OMolecular Processing
Molecular formula
C16H20BNO3
Molecular weight
285.15
Exact mass
285.1536
XLogP
1.84
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
84.91
Supplementary Information
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