SMILES:
O=C(CCCCc1ccc(B(O)O)cc1)OCc1ccccc1Molecular Processing
Molecular formula
C18H21BO4
Molecular weight
312.17
Exact mass
312.1533
XLogP
1.82
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
90.06
Supplementary Information
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