SMILES:
CC1(C)OB(c2ccc(OCC3CCC3)c(C#N)c2)OC1(C)CMolecular Processing
Molecular formula
C18H24BNO3
Molecular weight
313.21
Exact mass
313.1849
XLogP
3.04
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
89.71
Supplementary Information
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