Название: (1S,2R)-4-(2-hydroxy-1-methyl-4-pyridin-3-ylbutoxy)benzeneboronic acid
SMILES:
C[C@H](Oc1ccc(B(O)O)cc1)[C@H](O)CCc1cccnc1Molecular Processing
Molecular formula
C16H20BNO4
Molecular weight
301.15
Exact mass
301.1485
XLogP
0.52
TPSA
82.81
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
84.92
Supplementary Information
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