이름: 1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILES:
CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)CMolecular Processing
Molecular formula
C14H23BN2O3
Molecular weight
278.16
Exact mass
278.1802
XLogP
1.88
TPSA
45.51
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
76.78
Supplementary Information
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