SMILES:
COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C#NMolecular Processing
Molecular formula
C14H18BNO3
Molecular weight
259.11
Exact mass
259.138
XLogP
1.87
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.43
Supplementary Information
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