SMILES:
CC1(C)CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1Molecular Processing
Molecular formula
C18H28BNO2
Molecular weight
301.24
Exact mass
301.2213
XLogP
3.22
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
92.77
Supplementary Information
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